N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide

C52H42ClFN6O3S3 — CID 161381855

IUPACN-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(-c2ccncc2)s1.O=C(NCc1ccccc1Cl)c1ccc(-c2ccncc2)s1.O=C(NCc1ccccc1F)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C18H16N2OS.C17H13ClN2OS.C17H13FN2OS/c1-13-4-2-3-5-15(13)12-20-18(21)17-7-6-16(22-17)14-8-10-19-11-9-14;2*18-14-4-2-1-3-13(14)11-20-17(21)16-6-5-15(22-16)12-7-9-19-10-8-12/h2-11H,12H2,1H3,(H,20,21);2*1-10H,11H2,(H,20,21)
InChIKeyVRVAJYHHZLCXNA-UHFFFAOYSA-N
MW949.60 g/mol
LogP12.32
Rot. Bonds12

About N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide

N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 161381855) has the molecular formula C52H42ClFN6O3S3 and a molecular weight of 949.60 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
PubChem CID161381855
Molecular FormulaC52H42ClFN6O3S3
Molecular Weight949.60 g/mol
Exact Mass948.22
IUPAC NameN-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(-c2ccncc2)s1.O=C(NCc1ccccc1Cl)c1ccc(-c2ccncc2)s1.O=C(NCc1ccccc1F)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C18H16N2OS.C17H13ClN2OS.C17H13FN2OS/c1-13-4-2-3-5-15(13)12-20-18(21)17-7-6-16(22-17)14-8-10-19-11-9-14;2*18-14-4-2-1-3-13(14)11-20-17(21)16-6-5-15(22-16)12-7-9-19-10-8-12/h2-11H,12H2,1H3,(H,20,21);2*1-10H,11H2,(H,20,21)
InChIKeyVRVAJYHHZLCXNA-UHFFFAOYSA-N
XLogP12.32
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.60
LogP ≤ 512.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide with MolForge

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Related Compounds

4-(5-{[(2-Chloropyridin-4-Yl)methyl]carbamoyl}thiophen-2-Yl)-1-Benzothiophene-2-Carboxamide
CID 71664582
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)thiophene-2-carboxamide;2-(4-chlorophenyl)-5-(3-phenylpropyl)thiophene;5-(3,4-dimethylphenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(2-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 157433749
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[phenyl(pyridin-4-yl)methyl]thiophene-2-carboxamide
CID 55793901
N-[4-[(3-chloro-1-benzothiophene-2-carbonyl)-[(3-pyridin-4-ylphenyl)methyl]amino]cyclohexyl]pyridine-4-carboxamide
CID 73330868
N-[4-(benzylamino)cyclohexyl]-3-chloro-4,7-difluoro-N-[(2-methyl-5-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;N-[4-[benzyl-(3-chloro-4,7-difluoro-1-benzothiophene-2-carbonyl)amino]cyclohexyl]-3-chloro-7-fluoro-4-methyl-N-[(2-methyl-5-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 157828604
1-[4-[4-[5-(2-Tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-piperazin-1-ylmethanone;2,2-dimethylpropanoyl chloride
CID 158516585
4-(4-chlorophenyl)-2-pyridin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one;N-[4-(4-chlorophenyl)-2-pyridin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-ylidene]hydroxylamine;4-(4-chlorophenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydrothieno[2,3-c]azepin-8-one
CID 158665331
acetyl bromide;1-[4-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperazin-1-yl]ethanone;[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-piperazin-1-ylmethanone;N,N-diethylethanamine
CID 158830103
(4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide
CID 159619664
4-chloro-N-[[5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 159855552
3-chloro-N-[4-[ethyl(methyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(prop-2-enyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;3-chloro-N-[4-[methyl(propyl)amino]cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 160989994
N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-3-yl]-2,2-dimethylpropanamide;4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide
CID 162035632

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide (CID 161381855) is N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide is Cc1ccccc1CNC(=O)c1ccc(-c2ccncc2)s1.O=C(NCc1ccccc1Cl)c1ccc(-c2ccncc2)s1.O=C(NCc1ccccc1F)c1ccc(-c2ccncc2)s1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is VRVAJYHHZLCXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS.C17H13ClN2OS.C17H13FN2OS/c1-13-4-2-3-5-15(13)12-20-18(21)17-7-6-16(22-17)14-8-10-19-11-9-14;2*18-14-4-2-1-3-13(14)11-20-17(21)16-6-5-15(22-16)12-7-9-19-10-8-12/h2-11H,12H2,1H3,(H,20,21);2*1-10H,11H2,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 949.60 g/mol, XLogP of 12.32, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-fluorophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(2-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 161381855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).