4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide

C28H27N3O3S — CID 20932234

IUPAC4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide
SMILESCOc1ccccc1Nc1sc(C(=O)c2ccc(C)cc2C)c(N)c1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C28H27N3O3S/c1-16-9-12-19(13-10-16)30-27(33)23-24(29)26(25(32)20-14-11-17(2)15-18(20)3)35-28(23)31-21-7-5-6-8-22(21)34-4/h5-15,31H,29H2,1-4H3,(H,30,33)
InChIKeyPFTSXVGUAOTENK-UHFFFAOYSA-N
MW485.61 g/mol
LogP6.49
Rot. Bonds7

About 4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide

4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide (PubChem CID 20932234) has the molecular formula C28H27N3O3S and a molecular weight of 485.61 g/mol. Its IUPAC name is 4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide
PubChem CID20932234
Molecular FormulaC28H27N3O3S
Molecular Weight485.61 g/mol
Exact Mass485.18
IUPAC Name4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide
SMILESCOc1ccccc1Nc1sc(C(=O)c2ccc(C)cc2C)c(N)c1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C28H27N3O3S/c1-16-9-12-19(13-10-16)30-27(33)23-24(29)26(25(32)20-14-11-17(2)15-18(20)3)35-28(23)31-21-7-5-6-8-22(21)34-4/h5-15,31H,29H2,1-4H3,(H,30,33)
InChIKeyPFTSXVGUAOTENK-UHFFFAOYSA-N
XLogP6.49
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.61
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-(4-fluorobenzoyl)-2-(2-methylanilino)-N-(4-methylphenyl)thiophene-3-carboxamide
CID 5059441
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350937
4-amino-5-(4-fluorobenzoyl)-2-(2-methylanilino)-N-phenylthiophene-3-carboxamide
CID 5059448
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethylbenzamide
CID 9245041
[3-amino-5-(2,4-dimethylanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350910
[3-amino-5-(3,4-dimethylanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350927
4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide
CID 2806398
4-amino-N-(4-ethoxyphenyl)-2-(2-methylanilino)-5-(3-nitrobenzoyl)thiophene-3-carboxamide
CID 5059445
2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985879
[3-amino-5-anilino-4-(4-bromophenyl)sulfonylthiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350988
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(4-methylanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350956
2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 142804897

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide (CID 20932234) is 4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide is COc1ccccc1Nc1sc(C(=O)c2ccc(C)cc2C)c(N)c1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide?
The InChIKey is PFTSXVGUAOTENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3S/c1-16-9-12-19(13-10-16)30-27(33)23-24(29)26(25(32)20-14-11-17(2)15-18(20)3)35-28(23)31-21-7-5-6-8-22(21)34-4/h5-15,31H,29H2,1-4H3,(H,30,33).
What are the key properties of 4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide?
4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 6.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 20932234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).