2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide

C103H81Br2Cl2FN14O9S6 — CID 161219403

IUPAC2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCOc1cccc(CC(=O)Nc2cc(-c3ccncc3)cs2)c1.O=C(CCc1ccccc1)Nc1nc(-c2ccncc2)ns1.O=C(Cc1cc2c(cc1Br)OCO2)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccc(Cl)cc1Cl)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccc(F)cc1)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccccc1Br)Nc1cc(-c2ccncc2)cs1
InChIInChI=1S/C18H13BrN2O3S.C18H16N2O2S.C17H13BrN2OS.C17H12Cl2N2OS.C17H13FN2OS.C16H14N4OS/c19-14-8-16-15(23-10-24-16)5-12(14)6-17(22)21-18-7-13(9-25-18)11-1-3-20-4-2-11;1-22-16-4-2-3-13(9-16)10-17(21)20-18-11-15(12-23-18)14-5-7-19-8-6-14;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;18-14-2-1-12(15(19)9-14)7-16(22)21-17-8-13(10-23-17)11-3-5-20-6-4-11;18-15-3-1-12(2-4-15)9-16(21)20-17-10-14(11-22-17)13-5-7-19-8-6-13;21-14(7-6-12-4-2-1-3-5-12)18-16-19-15(20-22-16)13-8-10-17-11-9-13/h1-5,7-9H,6,10H2,(H,21,22);2-9,11-12H,10H2,1H3,(H,20,21);1-8,10-11H,9H2,(H,20,21);1-6,8-10H,7H2,(H,21,22);1-8,10-11H,9H2,(H,20,21);1-5,8-11H,6-7H2,(H,18,19,20,21)
InChIKeyUXHPOGBTUKDYPP-UHFFFAOYSA-N
MW2100.98 g/mol
LogP25.84
Rot. Bonds26

About 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide

2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 161219403) has the molecular formula C103H81Br2Cl2FN14O9S6 and a molecular weight of 2100.98 g/mol. Its IUPAC name is 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID161219403
Molecular FormulaC103H81Br2Cl2FN14O9S6
Molecular Weight2100.98 g/mol
Exact Mass2096.24
IUPAC Name2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCOc1cccc(CC(=O)Nc2cc(-c3ccncc3)cs2)c1.O=C(CCc1ccccc1)Nc1nc(-c2ccncc2)ns1.O=C(Cc1cc2c(cc1Br)OCO2)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccc(Cl)cc1Cl)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccc(F)cc1)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccccc1Br)Nc1cc(-c2ccncc2)cs1
InChIInChI=1S/C18H13BrN2O3S.C18H16N2O2S.C17H13BrN2OS.C17H12Cl2N2OS.C17H13FN2OS.C16H14N4OS/c19-14-8-16-15(23-10-24-16)5-12(14)6-17(22)21-18-7-13(9-25-18)11-1-3-20-4-2-11;1-22-16-4-2-3-13(9-16)10-17(21)20-18-11-15(12-23-18)14-5-7-19-8-6-14;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;18-14-2-1-12(15(19)9-14)7-16(22)21-17-8-13(10-23-17)11-3-5-20-6-4-11;18-15-3-1-12(2-4-15)9-16(21)20-17-10-14(11-22-17)13-5-7-19-8-6-13;21-14(7-6-12-4-2-1-3-5-12)18-16-19-15(20-22-16)13-8-10-17-11-9-13/h1-5,7-9H,6,10H2,(H,21,22);2-9,11-12H,10H2,1H3,(H,20,21);1-8,10-11H,9H2,(H,20,21);1-6,8-10H,7H2,(H,21,22);1-8,10-11H,9H2,(H,20,21);1-5,8-11H,6-7H2,(H,18,19,20,21)
InChIKeyUXHPOGBTUKDYPP-UHFFFAOYSA-N
XLogP25.84
TPSA305.41 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002100.98
LogP ≤ 525.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17013300
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 16911472
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 86578418
3-(3-methoxyphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134051001
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 100573365
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 9094379
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 17013953

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide (CID 161219403) is 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide is COc1cccc(CC(=O)Nc2cc(-c3ccncc3)cs2)c1.O=C(CCc1ccccc1)Nc1nc(-c2ccncc2)ns1.O=C(Cc1cc2c(cc1Br)OCO2)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccc(Cl)cc1Cl)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccc(F)cc1)Nc1cc(-c2ccncc2)cs1.O=C(Cc1ccccc1Br)Nc1cc(-c2ccncc2)cs1.
What is the InChIKey of 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is UXHPOGBTUKDYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O3S.C18H16N2O2S.C17H13BrN2OS.C17H12Cl2N2OS.C17H13FN2OS.C16H14N4OS/c19-14-8-16-15(23-10-24-16)5-12(14)6-17(22)21-18-7-13(9-25-18)11-1-3-20-4-2-11;1-22-16-4-2-3-13(9-16)10-17(21)20-18-11-15(12-23-18)14-5-7-19-8-6-14;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;18-14-2-1-12(15(19)9-14)7-16(22)21-17-8-13(10-23-17)11-3-5-20-6-4-11;18-15-3-1-12(2-4-15)9-16(21)20-17-10-14(11-22-17)13-5-7-19-8-6-13;21-14(7-6-12-4-2-1-3-5-12)18-16-19-15(20-22-16)13-8-10-17-11-9-13/h1-5,7-9H,6,10H2,(H,21,22);2-9,11-12H,10H2,1H3,(H,20,21);1-8,10-11H,9H2,(H,20,21);1-6,8-10H,7H2,(H,21,22);1-8,10-11H,9H2,(H,20,21);1-5,8-11H,6-7H2,(H,18,19,20,21).
What are the key properties of 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide?
2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 2100.98 g/mol, XLogP of 25.84, 26 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2-bromophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(2,4-dichlorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(4-fluorophenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 161219403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).