2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide

C20H18N2O3S — CID 7673753

IUPAC2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccccc3)sc2NC(C)=O)c1
InChIInChI=1S/C20H18N2O3S/c1-13(23)21-20-17(12-18(26-20)14-7-4-3-5-8-14)19(24)22-15-9-6-10-16(11-15)25-2/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyUJUKMBWNPCZKTF-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.63
Rot. Bonds5

About 2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide

2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide (PubChem CID 7673753) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide
PubChem CID7673753
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3ccccc3)sc2NC(C)=O)c1
InChIInChI=1S/C20H18N2O3S/c1-13(23)21-20-17(12-18(26-20)14-7-4-3-5-8-14)19(24)22-15-9-6-10-16(11-15)25-2/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyUJUKMBWNPCZKTF-UHFFFAOYSA-N
XLogP4.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 4826880
N-(3-acetamidophenyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55834572
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
N-(3-methoxyphenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 17498937
N-(3-methoxyphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771875
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
3,5-diacetamido-N-(3-methoxyphenyl)benzamide
CID 18104274
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
CID 11560615
2-benzyl-N-(3-methoxyphenyl)benzamide
CID 26914636
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide (CID 7673753) is 2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide is COc1cccc(NC(=O)c2cc(-c3ccccc3)sc2NC(C)=O)c1.
What is the InChIKey of 2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide?
The InChIKey is UJUKMBWNPCZKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-13(23)21-20-17(12-18(26-20)14-7-4-3-5-8-14)19(24)22-15-9-6-10-16(11-15)25-2/h3-12H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide?
2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 7673753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).