N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide

C82H81ClN6O5S4 — CID 158545674

IUPACN-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide
SMILESCC(C)Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1.CC(C)Cc1ccc(-c2ccc(C(=O)Nc3ccc(O)cc3)s2)cc1.CC(C)Cc1ccc(-c2ccc(C(=O)Nc3cccnc3)s2)cc1.CC(C)Cc1ccc(-c2ccc(C(=O)Nc3ccncc3)s2)cc1
InChIInChI=1S/C21H20ClNOS.C21H21NO2S.2C20H20N2OS/c1-14(2)13-15-3-5-16(6-4-15)19-11-12-20(25-19)21(24)23-18-9-7-17(22)8-10-18;1-14(2)13-15-3-5-16(6-4-15)19-11-12-20(25-19)21(24)22-17-7-9-18(23)10-8-17;1-14(2)13-15-3-5-16(6-4-15)18-7-8-19(24-18)20(23)22-17-9-11-21-12-10-17;1-14(2)12-15-5-7-16(8-6-15)18-9-10-19(24-18)20(23)22-17-4-3-11-21-13-17/h3-12,14H,13H2,1-2H3,(H,23,24);3-12,14,23H,13H2,1-2H3,(H,22,24);3-12,14H,13H2,1-2H3,(H,21,22,23);3-11,13-14H,12H2,1-2H3,(H,22,23)
InChIKeyHPBSQSQYQCHUFT-UHFFFAOYSA-N
MW1394.31 g/mol
LogP22.61
Rot. Bonds20

About N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide

N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 158545674) has the molecular formula C82H81ClN6O5S4 and a molecular weight of 1394.31 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide
PubChem CID158545674
Molecular FormulaC82H81ClN6O5S4
Molecular Weight1394.31 g/mol
Exact Mass1392.48
IUPAC NameN-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide
SMILESCC(C)Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1.CC(C)Cc1ccc(-c2ccc(C(=O)Nc3ccc(O)cc3)s2)cc1.CC(C)Cc1ccc(-c2ccc(C(=O)Nc3cccnc3)s2)cc1.CC(C)Cc1ccc(-c2ccc(C(=O)Nc3ccncc3)s2)cc1
InChIInChI=1S/C21H20ClNOS.C21H21NO2S.2C20H20N2OS/c1-14(2)13-15-3-5-16(6-4-15)19-11-12-20(25-19)21(24)23-18-9-7-17(22)8-10-18;1-14(2)13-15-3-5-16(6-4-15)19-11-12-20(25-19)21(24)22-17-7-9-18(23)10-8-17;1-14(2)13-15-3-5-16(6-4-15)18-7-8-19(24-18)20(23)22-17-9-11-21-12-10-17;1-14(2)12-15-5-7-16(8-6-15)18-9-10-19(24-18)20(23)22-17-4-3-11-21-13-17/h3-12,14H,13H2,1-2H3,(H,23,24);3-12,14,23H,13H2,1-2H3,(H,22,24);3-12,14H,13H2,1-2H3,(H,21,22,23);3-11,13-14H,12H2,1-2H3,(H,22,23)
InChIKeyHPBSQSQYQCHUFT-UHFFFAOYSA-N
XLogP22.61
TPSA162.41 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001394.31
LogP ≤ 522.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-5-(3-cyanophenyl)thiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(3-cyanophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-(4-hydroxyphenyl)thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide
CID 161298223
N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide
CID 11493386
N-(4-tert-butylphenyl)-3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxamide;N-(4-chlorophenyl)-5-(4-cyanophenyl)thiophene-2-carboxamide;N-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-3-ylthiophene-2-carboxamide;5-(4-fluorophenyl)-N-pyridin-4-ylthiophene-2-carboxamide;N-pyridin-4-yl-5-thiophen-3-ylthiophene-2-carboxamide
CID 158294425
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
5-(4-chlorophenyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 780278
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 18155395
2-amino-3-(4-hydroxyphenyl)-N-pyridin-3-ylpropanamide
CID 76892449
N,5-diphenylthiophene-2-carboxamide
CID 3746437
(2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid
CID 100651621
N-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 26718880
N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide
CID 43009139
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide (CID 158545674) is N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide is CC(C)Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1.CC(C)Cc1ccc(-c2ccc(C(=O)Nc3ccc(O)cc3)s2)cc1.CC(C)Cc1ccc(-c2ccc(C(=O)Nc3cccnc3)s2)cc1.CC(C)Cc1ccc(-c2ccc(C(=O)Nc3ccncc3)s2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is HPBSQSQYQCHUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNOS.C21H21NO2S.2C20H20N2OS/c1-14(2)13-15-3-5-16(6-4-15)19-11-12-20(25-19)21(24)23-18-9-7-17(22)8-10-18;1-14(2)13-15-3-5-16(6-4-15)19-11-12-20(25-19)21(24)22-17-7-9-18(23)10-8-17;1-14(2)13-15-3-5-16(6-4-15)18-7-8-19(24-18)20(23)22-17-9-11-21-12-10-17;1-14(2)12-15-5-7-16(8-6-15)18-9-10-19(24-18)20(23)22-17-4-3-11-21-13-17/h3-12,14H,13H2,1-2H3,(H,23,24);3-12,14,23H,13H2,1-2H3,(H,22,24);3-12,14H,13H2,1-2H3,(H,21,22,23);3-11,13-14H,12H2,1-2H3,(H,22,23).
What are the key properties of N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide?
N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 1394.31 g/mol, XLogP of 22.61, 20 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 158545674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).