3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide

C17H20N2O2S — CID 86821541

IUPAC3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NC(=O)Cc1cccs1
InChIInChI=1S/C17H20N2O2S/c1-11(2)18-17(21)13-6-7-15(12(3)9-13)19-16(20)10-14-5-4-8-22-14/h4-9,11H,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOYJRYRSBFLYFLH-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.38
Rot. Bonds5

About 3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide

3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide (PubChem CID 86821541) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
PubChem CID86821541
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NC(=O)Cc1cccs1
InChIInChI=1S/C17H20N2O2S/c1-11(2)18-17(21)13-6-7-15(12(3)9-13)19-16(20)10-14-5-4-8-22-14/h4-9,11H,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOYJRYRSBFLYFLH-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide 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

4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 17358957
4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 7312069
4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
CID 119300432
4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 55988825
4-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119300417
3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide
CID 63210486
5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 86821543
4-fluoro-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63212844
4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63742917
N-[4-methyl-2-[(2-thiophen-2-ylacetyl)amino]phenyl]thiophene-2-carboxamide
CID 3164945
methyl 3-difluoroboranyl-4-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 44633551
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide?
The IUPAC name of 3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide (CID 86821541) is 3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide.
What is the SMILES notation for 3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide?
The canonical SMILES for 3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide is Cc1cc(C(=O)NC(C)C)ccc1NC(=O)Cc1cccs1.
What is the InChIKey of 3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide?
The InChIKey is OYJRYRSBFLYFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11(2)18-17(21)13-6-7-15(12(3)9-13)19-16(20)10-14-5-4-8-22-14/h4-9,11H,10H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide?
3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide has a molecular weight of 316.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide is sourced from PubChem (CID 86821541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).