N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide

C29H28N2O2S — CID 46052688

IUPACN-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide
SMILESCc1cccc(CN(C(=O)c2cccs2)c2ccc(CC(=O)NC(C)c3ccccc3)cc2)c1
InChIInChI=1S/C29H28N2O2S/c1-21-8-6-9-24(18-21)20-31(29(33)27-12-7-17-34-27)26-15-13-23(14-16-26)19-28(32)30-22(2)25-10-4-3-5-11-25/h3-18,22H,19-20H2,1-2H3,(H,30,32)
InChIKeyUAMWWQHBSAUQFM-UHFFFAOYSA-N
MW468.62 g/mol
LogP6.32
Rot. Bonds8

About N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide

N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide (PubChem CID 46052688) has the molecular formula C29H28N2O2S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide
PubChem CID46052688
Molecular FormulaC29H28N2O2S
Molecular Weight468.62 g/mol
Exact Mass468.19
IUPAC NameN-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide
SMILESCc1cccc(CN(C(=O)c2cccs2)c2ccc(CC(=O)NC(C)c3ccccc3)cc2)c1
InChIInChI=1S/C29H28N2O2S/c1-21-8-6-9-24(18-21)20-31(29(33)27-12-7-17-34-27)26-15-13-23(14-16-26)19-28(32)30-22(2)25-10-4-3-5-11-25/h3-18,22H,19-20H2,1-2H3,(H,30,32)
InChIKeyUAMWWQHBSAUQFM-UHFFFAOYSA-N
XLogP6.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.62
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]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-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46046591
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046328
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 42852784
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46052687
N-benzyl-N-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46056426
N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide
CID 46052536
N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide
CID 46052704
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 92987128
N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046309
N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987150
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046849
3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987122

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide (CID 46052688) is N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide is Cc1cccc(CN(C(=O)c2cccs2)c2ccc(CC(=O)NC(C)c3ccccc3)cc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide?
The InChIKey is UAMWWQHBSAUQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2S/c1-21-8-6-9-24(18-21)20-31(29(33)27-12-7-17-34-27)26-15-13-23(14-16-26)19-28(32)30-22(2)25-10-4-3-5-11-25/h3-18,22H,19-20H2,1-2H3,(H,30,32).
What are the key properties of N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide?
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide has a molecular weight of 468.62 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46052688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).