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

C21H20N2O3S — CID 1088354

IUPACN-[4-[(2,4-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)c1cccs1
InChIInChI=1S/C21H20N2O3S/c1-13-6-8-16(14(2)11-13)20(24)22-15-7-9-17(18(12-15)26-3)23-21(25)19-5-4-10-27-19/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeyUXLVPMBIQPAHQX-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.88
Rot. Bonds5

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

N-[4-[(2,4-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 1088354) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-[(2,4-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID1088354
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[4-[(2,4-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)c1cccs1
InChIInChI=1S/C21H20N2O3S/c1-13-6-8-16(14(2)11-13)20(24)22-15-7-9-17(18(12-15)26-3)23-21(25)19-5-4-10-27-19/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeyUXLVPMBIQPAHQX-UHFFFAOYSA-N
XLogP4.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-2,3,4,5-tetrahydro-7-(2-thienyl)benzo[c]azepin-1-one
CID 54581964
N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 71659909
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155560516
Thiophene-2-carboxylic acid (4-methoxy-biphenyl-3-yl)-amide
CID 1109361
N-{2-[(2-methoxyanilino)carbonyl]phenyl}-2-thiophenecarboxamide
CID 1116978
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methylsulfanylbenzamide
CID 56969728
N-(3-methoxyphenyl)-N-methyl-5-phenylthiophene-2-carboxamide
CID 60196497
5-(3-(Dimethylamino)phenyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196601
N-(3-methoxyphenyl)-N-methyl-5-(3-methylsulfanylphenyl)thiophene-2-carboxamide
CID 60196703
N-(3-methoxyphenyl)-N-methyl-5-m-tolylthiophene-2-carboxamide
CID 60196704
5-(2-fluoro-3-methylphenyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196706
N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]-4-thiophen-3-ylbenzamide
CID 142573428

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(2,4-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide (CID 1088354) is N-[4-[(2,4-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2,4-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2,4-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide is COc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[4-[(2,4-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is UXLVPMBIQPAHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13-6-8-16(14(2)11-13)20(24)22-15-7-9-17(18(12-15)26-3)23-21(25)19-5-4-10-27-19/h4-12H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[(2,4-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide?
N-[4-[(2,4-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.88, 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-dimethylbenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1088354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).