2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide

C111H89Cl3F2N12O8S6 — CID 157412389

IUPAC2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide
SMILESCC(CC(=O)Nc1cc(-c2ccncc2)cs1)c1ccccc1.O=C(CCc1cccc(F)c1)Nc1cc(-c2ccncc2)cs1.O=C(CCc1cccc2ccccc12)Nc1cc(-c2ccncc2)cs1.O=C(Cc1cc2c(cc1Cl)OCO2)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccc(F)cc1Cl)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccccc1Cl)Nc1cc(-c2ccncc2)cs1
InChIInChI=1S/C22H18N2OS.C19H18N2OS.C18H13ClN2O3S.C18H15FN2OS.C17H12ClFN2OS.C17H13ClN2OS/c25-21(9-8-18-6-3-5-17-4-1-2-7-20(17)18)24-22-14-19(15-26-22)16-10-12-23-13-11-16;1-14(15-5-3-2-4-6-15)11-18(22)21-19-12-17(13-23-19)16-7-9-20-10-8-16;19-14-8-16-15(23-10-24-16)5-12(14)6-17(22)21-18-7-13(9-25-18)11-1-3-20-4-2-11;19-16-3-1-2-13(10-16)4-5-17(22)21-18-11-15(12-23-18)14-6-8-20-9-7-14;18-15-9-14(19)2-1-12(15)7-16(22)21-17-8-13(10-23-17)11-3-5-20-6-4-11;18-15-4-2-1-3-13(15)9-16(21)20-17-10-14(11-22-17)12-5-7-19-8-6-12/h1-7,10-15H,8-9H2,(H,24,25);2-10,12-14H,11H2,1H3,(H,21,22);1-5,7-9H,6,10H2,(H,21,22);1-3,6-12H,4-5H2,(H,21,22);1-6,8-10H,7H2,(H,21,22);1-8,10-11H,9H2,(H,20,21)
InChIKeyBOKZXBBPWXCYPW-UHFFFAOYSA-N
MW2055.77 g/mol
LogP28.80
Rot. Bonds27

About 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide

2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide (PubChem CID 157412389) has the molecular formula C111H89Cl3F2N12O8S6 and a molecular weight of 2055.77 g/mol. Its IUPAC name is 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide.

Molecular Properties

Compound Name2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide
PubChem CID157412389
Molecular FormulaC111H89Cl3F2N12O8S6
Molecular Weight2055.77 g/mol
Exact Mass2052.43
IUPAC Name2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide
SMILESCC(CC(=O)Nc1cc(-c2ccncc2)cs1)c1ccccc1.O=C(CCc1cccc(F)c1)Nc1cc(-c2ccncc2)cs1.O=C(CCc1cccc2ccccc12)Nc1cc(-c2ccncc2)cs1.O=C(Cc1cc2c(cc1Cl)OCO2)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccc(F)cc1Cl)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccccc1Cl)Nc1cc(-c2ccncc2)cs1
InChIInChI=1S/C22H18N2OS.C19H18N2OS.C18H13ClN2O3S.C18H15FN2OS.C17H12ClFN2OS.C17H13ClN2OS/c25-21(9-8-18-6-3-5-17-4-1-2-7-20(17)18)24-22-14-19(15-26-22)16-10-12-23-13-11-16;1-14(15-5-3-2-4-6-15)11-18(22)21-19-12-17(13-23-19)16-7-9-20-10-8-16;19-14-8-16-15(23-10-24-16)5-12(14)6-17(22)21-18-7-13(9-25-18)11-1-3-20-4-2-11;19-16-3-1-2-13(10-16)4-5-17(22)21-18-11-15(12-23-18)14-6-8-20-9-7-14;18-15-9-14(19)2-1-12(15)7-16(22)21-17-8-13(10-23-17)11-3-5-20-6-4-11;18-15-4-2-1-3-13(15)9-16(21)20-17-10-14(11-22-17)12-5-7-19-8-6-12/h1-7,10-15H,8-9H2,(H,24,25);2-10,12-14H,11H2,1H3,(H,21,22);1-5,7-9H,6,10H2,(H,21,22);1-3,6-12H,4-5H2,(H,21,22);1-6,8-10H,7H2,(H,21,22);1-8,10-11H,9H2,(H,20,21)
InChIKeyBOKZXBBPWXCYPW-UHFFFAOYSA-N
XLogP28.80
TPSA270.40 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002055.77
LogP ≤ 528.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide with MolForge

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Related Compounds

(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;(1S,2R,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 162058965
2-(4-chlorophenyl)-N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-fluorophenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide;N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-phenylacetamide
CID 157216550
N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl]acetamide;2-(6-chloro-1,3-benzodioxol-5-yl)-N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]acetamide;2-[2-chloro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide;methane
CID 157322612
2-(6-chloro-1,3-benzodioxol-5-yl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(4-fluorophenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-[3-[4-(4-methylpiperazin-1-yl)butyl]phenyl]-N-(5-pyridin-4-ylthiophen-3-yl)acetamide;2-phenyl-N-(5-pyridin-4-ylthiophen-3-yl)acetamide
CID 158403985
3-amino-2-(2-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(benzenesulfinyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(benzenesulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-phenylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 159102857

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide?
The IUPAC name of 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide (CID 157412389) is 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide.
What is the SMILES notation for 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide?
The canonical SMILES for 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide is CC(CC(=O)Nc1cc(-c2ccncc2)cs1)c1ccccc1.O=C(CCc1cccc(F)c1)Nc1cc(-c2ccncc2)cs1.O=C(CCc1cccc2ccccc12)Nc1cc(-c2ccncc2)cs1.O=C(Cc1cc2c(cc1Cl)OCO2)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccc(F)cc1Cl)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccccc1Cl)Nc1cc(-c2ccncc2)cs1.
What is the InChIKey of 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide?
The InChIKey is BOKZXBBPWXCYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS.C19H18N2OS.C18H13ClN2O3S.C18H15FN2OS.C17H12ClFN2OS.C17H13ClN2OS/c25-21(9-8-18-6-3-5-17-4-1-2-7-20(17)18)24-22-14-19(15-26-22)16-10-12-23-13-11-16;1-14(15-5-3-2-4-6-15)11-18(22)21-19-12-17(13-23-19)16-7-9-20-10-8-16;19-14-8-16-15(23-10-24-16)5-12(14)6-17(22)21-18-7-13(9-25-18)11-1-3-20-4-2-11;19-16-3-1-2-13(10-16)4-5-17(22)21-18-11-15(12-23-18)14-6-8-20-9-7-14;18-15-9-14(19)2-1-12(15)7-16(22)21-17-8-13(10-23-17)11-3-5-20-6-4-11;18-15-4-2-1-3-13(15)9-16(21)20-17-10-14(11-22-17)12-5-7-19-8-6-12/h1-7,10-15H,8-9H2,(H,24,25);2-10,12-14H,11H2,1H3,(H,21,22);1-5,7-9H,6,10H2,(H,21,22);1-3,6-12H,4-5H2,(H,21,22);1-6,8-10H,7H2,(H,21,22);1-8,10-11H,9H2,(H,20,21).
What are the key properties of 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide?
2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide has a molecular weight of 2055.77 g/mol, XLogP of 28.80, 27 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chloro-4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-chlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-(3-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-naphthalen-1-yl-N-(4-pyridin-4-ylthiophen-2-yl)propanamide;3-phenyl-N-(4-pyridin-4-ylthiophen-2-yl)butanamide is sourced from PubChem (CID 157412389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).