2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide

C15H15ClN2O3S — CID 56824654

IUPAC2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C15H15ClN2O3S/c1-7-8(2)22-15(12(7)13(17)19)18-14(20)10-5-4-9(16)6-11(10)21-3/h4-6H,1-3H3,(H2,17,19)(H,18,20)
InChIKeyUCEYZCOEUGBRIR-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.38
Rot. Bonds4

About 2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide

2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 56824654) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID56824654
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C15H15ClN2O3S/c1-7-8(2)22-15(12(7)13(17)19)18-14(20)10-5-4-9(16)6-11(10)21-3/h4-6H,1-3H3,(H2,17,19)(H,18,20)
InChIKeyUCEYZCOEUGBRIR-UHFFFAOYSA-N
XLogP3.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 844073
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 841038
propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 5185070
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 56502217
2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777479
ethyl 4-carbamoyl-5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 1219793
4-chloro-2-methoxybenzamide
CID 19741766
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4140165
2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 82877767
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
ethyl 4-carbamoyl-5-[(2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 7521227
2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 1021509

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide (CID 56824654) is 2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide is COc1cc(Cl)ccc1C(=O)Nc1sc(C)c(C)c1C(N)=O.
What is the InChIKey of 2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is UCEYZCOEUGBRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-7-8(2)22-15(12(7)13(17)19)18-14(20)10-5-4-9(16)6-11(10)21-3/h4-6H,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of 2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 338.82 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 56824654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).