2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide

C17H20N2O2S — CID 134149438

IUPAC2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2)sc1NC(C)=O
InChIInChI=1S/C17H20N2O2S/c1-3-4-10-18-16(21)14-11-15(13-8-6-5-7-9-13)22-17(14)19-12(2)20/h5-9,11H,3-4,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUZQHBSDTCKDMAZ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.90
Rot. Bonds6

About 2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide

2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide (PubChem CID 134149438) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide
PubChem CID134149438
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2)sc1NC(C)=O
InChIInChI=1S/C17H20N2O2S/c1-3-4-10-18-16(21)14-11-15(13-8-6-5-7-9-13)22-17(14)19-12(2)20/h5-9,11H,3-4,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUZQHBSDTCKDMAZ-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tpca-1
CID 9903786
2-Amino-5-phenylthiophene-3-carboxamide
CID 703965
N,N-Diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1190625
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
(5R)-N,N-Diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16122638
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
2-[(2-Fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 700253
2-Benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 678544
2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900
N-(3-benzoylthien-2-yl)-2-chloroacetamide
CID 819037
2-amino-N-phenethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 830161
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide (CID 134149438) is 2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide is CCCCNC(=O)c1cc(-c2ccccc2)sc1NC(C)=O.
What is the InChIKey of 2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide?
The InChIKey is UZQHBSDTCKDMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-3-4-10-18-16(21)14-11-15(13-8-6-5-7-9-13)22-17(14)19-12(2)20/h5-9,11H,3-4,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide?
2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-butyl-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 134149438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).