N-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide

C19H14Cl2N2O3S — CID 3161504

IUPACN-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)c1cccs1
InChIInChI=1S/C19H14Cl2N2O3S/c1-26-16-10-12(22-18(24)13-6-4-11(20)9-14(13)21)5-7-15(16)23-19(25)17-3-2-8-27-17/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyLYOLYJUHXISBOC-UHFFFAOYSA-N
MW421.31 g/mol
LogP5.57
Rot. Bonds5

About N-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide

N-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 3161504) has the molecular formula C19H14Cl2N2O3S and a molecular weight of 421.31 g/mol. Its IUPAC name is N-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID3161504
Molecular FormulaC19H14Cl2N2O3S
Molecular Weight421.31 g/mol
Exact Mass420.01
IUPAC NameN-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)c1cccs1
InChIInChI=1S/C19H14Cl2N2O3S/c1-26-16-10-12(22-18(24)13-6-4-11(20)9-14(13)21)5-7-15(16)23-19(25)17-3-2-8-27-17/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyLYOLYJUHXISBOC-UHFFFAOYSA-N
XLogP5.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.31
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-{[(2,4-dimethylphenyl)carbonyl]amino}-2-methoxyphenyl)thiophene-2-carboxamide
CID 1088354
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide
CID 1092658
N-{2,5-Dimethoxy-4-[(thiophene-2-carbonyl)-amino]-phenyl}-N'-p-tolyl-succinamide
CID 1139093
N-{2,5-dimethoxy-4-[(2-thienylacetyl)amino]phenyl}benzamide
CID 1164412
N-{3-methoxy-4-[(phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 1298832
Thiophene-2-carboxylic acid (2,5-dimethoxy-4-phenylacetylamino-phenyl)-amide
CID 1428071
N-(4-{[(3-Chlorophenyl)carbamoyl]amino}-2,5-dimethoxyphenyl)thiophene-2-carboxamide
CID 1428109
N-(2,5-dimethoxyphenyl)-4-(2-thienyl)benzenecarboxamide
CID 1483505
3-amino-5-(4-chlorophenyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 15988646
N-[4-({[(3,5-dimethylbenzoyl)amino]carbonothioyl}amino)-2-methoxyphenyl]-2-thiophenecarboxamide
CID 2204949
N-(2-methoxy-4-{[(2,3,5,6-tetrafluoro-4-methoxyphenyl)carbonyl]amino}phenyl)thiophene-2-carboxamide
CID 2232244
N-[4-({[(2-fluorobenzoyl)amino]carbonothioyl}amino)-2-methoxyphenyl]-2-thiophenecarboxamide
CID 2983184

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide (CID 3161504) is N-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide is COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is LYOLYJUHXISBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S/c1-26-16-10-12(22-18(24)13-6-4-11(20)9-14(13)21)5-7-15(16)23-19(25)17-3-2-8-27-17/h2-10H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
N-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 421.31 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3161504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).