4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide

C19H14Cl2N2O3S — CID 996008

IUPAC4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3Cl)c2C(N)=O)cc1
InChIInChI=1S/C19H14Cl2N2O3S/c1-26-12-5-2-10(3-6-12)18(25)23-19-16(17(22)24)14(9-27-19)13-7-4-11(20)8-15(13)21/h2-9H,1H3,(H2,22,24)(H,23,25)
InChIKeyBZNANUVIOHHQKB-UHFFFAOYSA-N
MW421.31 g/mol
LogP5.08
Rot. Bonds5

About 4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide

4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide (PubChem CID 996008) has the molecular formula C19H14Cl2N2O3S and a molecular weight of 421.31 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide
PubChem CID996008
Molecular FormulaC19H14Cl2N2O3S
Molecular Weight421.31 g/mol
Exact Mass420.01
IUPAC Name4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3Cl)c2C(N)=O)cc1
InChIInChI=1S/C19H14Cl2N2O3S/c1-26-12-5-2-10(3-6-12)18(25)23-19-16(17(22)24)14(9-27-19)13-7-4-11(20)8-15(13)21/h2-9H,1H3,(H2,22,24)(H,23,25)
InChIKeyBZNANUVIOHHQKB-UHFFFAOYSA-N
XLogP5.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.31
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
4-(2,4-Dichlorophenyl)-2-[(4-isobutoxybenzoyl)amino]-3-thiophenecarboxamide
CID 2168891
2-[[4-(Difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide
CID 2132378
2-({3-[(4-Chlorophenoxy)methyl]benzoyl}amino)-5-isopropyl-3-thiophenecarboxamide
CID 997178
N-(3-chlorophenyl)-2-{[(4-methoxyphenyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4331005
2-amino-4,5-bis(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-3-carboxamide
CID 71658068
4-(2,4-Dichlorophenyl)-2-[(4-isobutoxybenzoyl)amino]-5-methyl-3-thiophenecarboxamide
CID 1763027
5-Benzyl-2-{[(4-methoxyphenyl)acetyl]amino}-4-methyl-3-thiophenecarboxamide
CID 1010410
5-Benzyl-2-{[3-(4-methoxyphenyl)acryloyl]amino}-4-methyl-3-thiophenecarboxamide
CID 1192056
2-[(4-Phenoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 76314617
[2-Amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
CID 25265700
2-[(2-Chloro-5-methoxybenzoyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid
CID 168296715

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide (CID 996008) is 4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide is COc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3Cl)c2C(N)=O)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is BZNANUVIOHHQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S/c1-26-12-5-2-10(3-6-12)18(25)23-19-16(17(22)24)14(9-27-19)13-7-4-11(20)8-15(13)21/h2-9H,1H3,(H2,22,24)(H,23,25).
What are the key properties of 4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide?
4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 421.31 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 996008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).