5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide

C17H20N2O2S — CID 8938472

IUPAC5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)s1
InChIInChI=1S/C17H20N2O2S/c1-12(20)15-9-10-16(22-15)17(21)18-14(11-19(2)3)13-7-5-4-6-8-13/h4-10,14H,11H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyGRSLQPREMHKKRC-AWEZNQCLSA-N
MW316.43 g/mol
LogP2.98
Rot. Bonds6

About 5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide

5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 8938472) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide
PubChem CID8938472
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)s1
InChIInChI=1S/C17H20N2O2S/c1-12(20)15-9-10-16(22-15)17(21)18-14(11-19(2)3)13-7-5-4-6-8-13/h4-10,14H,11H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyGRSLQPREMHKKRC-AWEZNQCLSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-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

N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
4-amino-N-[(1R)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606094
4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606092
N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide
CID 86909665
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
2-amino-N-[2-(dimethylamino)-1-phenylethyl]butanamide
CID 61248731
2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide
CID 10064609
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
CID 63182495
5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide
CID 9090014
methyl (2S)-2-[(5-acetylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 18104502
N-[2-(dimethylamino)-1-phenylethyl]-2,3-dimethylbenzamide
CID 78819640
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide (CID 8938472) is 5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)s1.
What is the InChIKey of 5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is GRSLQPREMHKKRC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12(20)15-9-10-16(22-15)17(21)18-14(11-19(2)3)13-7-5-4-6-8-13/h4-10,14H,11H2,1-3H3,(H,18,21)/t14-/m0/s1.
What are the key properties of 5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide?
5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 8938472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).