2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide

C20H18N2O4S — CID 16857829

IUPAC2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1OC
InChIInChI=1S/C20H18N2O4S/c1-25-15-9-8-13(10-16(15)26-2)19(24)22-20-14(18(21)23)11-17(27-20)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,21,23)(H,22,24)
InChIKeyYRTNENONPDKXJV-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.78
Rot. Bonds6

About 2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide

2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide (PubChem CID 16857829) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
PubChem CID16857829
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1OC
InChIInChI=1S/C20H18N2O4S/c1-25-15-9-8-13(10-16(15)26-2)19(24)22-20-14(18(21)23)11-17(27-20)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,21,23)(H,22,24)
InChIKeyYRTNENONPDKXJV-UHFFFAOYSA-N
XLogP3.78
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 4826880
2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857860
2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857911
2-[[2-(2-methoxyphenoxy)acetyl]amino]-5-phenylthiophene-3-carboxylic acid
CID 28860628
ethyl 2-[(3,5-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate
CID 1189333
methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate
CID 19680192
2-[(4-tert-butylbenzoyl)amino]-5-phenylthiophene-3-carboxylic acid
CID 28860572
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 841038
2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide
CID 173125975
2-[[2-(4-acetylanilino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9113396
methyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate
CID 66637988
ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-5-phenylthiophene-3-carboxylate
CID 4602027

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide (CID 16857829) is 2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide is COc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is YRTNENONPDKXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-25-15-9-8-13(10-16(15)26-2)19(24)22-20-14(18(21)23)11-17(27-20)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 16857829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).