4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid

C18H14ClNO3S2 — CID 58191269

IUPAC4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(NC(=O)c3cc(C)sc3Cl)c2C(=O)O)cc1
InChIInChI=1S/C18H14ClNO3S2/c1-9-3-5-11(6-4-9)15-14(18(22)23)13(8-24-15)20-17(21)12-7-10(2)25-16(12)19/h3-8H,1-2H3,(H,20,21)(H,22,23)
InChIKeyPAPBCNPMXXPLJG-UHFFFAOYSA-N
MW391.90 g/mol
LogP5.70
Rot. Bonds4

About 4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid

4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid (PubChem CID 58191269) has the molecular formula C18H14ClNO3S2 and a molecular weight of 391.90 g/mol. Its IUPAC name is 4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
PubChem CID58191269
Molecular FormulaC18H14ClNO3S2
Molecular Weight391.90 g/mol
Exact Mass391.01
IUPAC Name4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(NC(=O)c3cc(C)sc3Cl)c2C(=O)O)cc1
InChIInChI=1S/C18H14ClNO3S2/c1-9-3-5-11(6-4-9)15-14(18(22)23)13(8-24-15)20-17(21)12-7-10(2)25-16(12)19/h3-8H,1-2H3,(H,20,21)(H,22,23)
InChIKeyPAPBCNPMXXPLJG-UHFFFAOYSA-N
XLogP5.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 58191544
2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 58191222
2-(4-methylphenyl)-4-[(2,3,5-trifluoro-4-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250578
2-(4-chlorophenyl)-4-[(2,4,5-trifluoro-3-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250619
2-(4-methylphenyl)-4-[(2,3,5-tribromo-4-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250570
2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid
CID 58191384
2-(4-chlorophenyl)-4-[(2,4,5-trichloro-3-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250438
2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 67052318
2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 67052256
2-(6-chloro-3-pyridinyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 58191464
2-(4-methoxyphenyl)-4-[(2,3,5-triiodo-4-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250545
2-(4-methoxyphenyl)-4-[(2,4,6-trichloro-3-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250423

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid (CID 58191269) is 4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid is Cc1ccc(-c2scc(NC(=O)c3cc(C)sc3Cl)c2C(=O)O)cc1.
What is the InChIKey of 4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid?
The InChIKey is PAPBCNPMXXPLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3S2/c1-9-3-5-11(6-4-9)15-14(18(22)23)13(8-24-15)20-17(21)12-7-10(2)25-16(12)19/h3-8H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid?
4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid has a molecular weight of 391.90 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 58191269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).