(2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

C18H23N3O2S — CID 40952704

IUPAC(2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)N(C)Cc2sccc2C)cc1
InChIInChI=1S/C18H23N3O2S/c1-12-9-10-24-17(12)11-21(4)13(2)18(23)20-16-7-5-15(6-8-16)19-14(3)22/h5-10,13H,11H2,1-4H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyLXAJDVASSCLBSF-ZDUSSCGKSA-N
MW345.47 g/mol
LogP3.47
Rot. Bonds6

About (2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

(2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (PubChem CID 40952704) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
PubChem CID40952704
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)N(C)Cc2sccc2C)cc1
InChIInChI=1S/C18H23N3O2S/c1-12-9-10-24-17(12)11-21(4)13(2)18(23)20-16-7-5-15(6-8-16)19-14(3)22/h5-10,13H,11H2,1-4H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyLXAJDVASSCLBSF-ZDUSSCGKSA-N
XLogP3.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide 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-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 17405259
(2S)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 9434113
(2R)-N-(4-cyanophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434065
N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 55364809
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434153
(2R)-N-(2-methoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434103
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 51183764
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9389955
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 2086652
N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 55432676
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (CID 40952704) is (2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is CC(=O)Nc1ccc(NC(=O)[C@H](C)N(C)Cc2sccc2C)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The InChIKey is LXAJDVASSCLBSF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-9-10-24-17(12)11-21(4)13(2)18(23)20-16-7-5-15(6-8-16)19-14(3)22/h5-10,13H,11H2,1-4H3,(H,19,22)(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
(2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide has a molecular weight of 345.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 40952704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).