(3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide

C15H23N3O2S — CID 125177880

IUPAC(3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide
SMILESCCSc1ccccc1NC(=O)N(C)[C@@H](C)CC(=O)NC
InChIInChI=1S/C15H23N3O2S/c1-5-21-13-9-7-6-8-12(13)17-15(20)18(4)11(2)10-14(19)16-3/h6-9,11H,5,10H2,1-4H3,(H,16,19)(H,17,20)/t11-/m0/s1
InChIKeySVLPOGBIODTFFH-NSHDSACASA-N
MW309.44 g/mol
LogP2.79
Rot. Bonds6

About (3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide

(3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide (PubChem CID 125177880) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name(3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide
PubChem CID125177880
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide
SMILESCCSc1ccccc1NC(=O)N(C)[C@@H](C)CC(=O)NC
InChIInChI=1S/C15H23N3O2S/c1-5-21-13-9-7-6-8-12(13)17-15(20)18(4)11(2)10-14(19)16-3/h6-9,11H,5,10H2,1-4H3,(H,16,19)(H,17,20)/t11-/m0/s1
InChIKeySVLPOGBIODTFFH-NSHDSACASA-N
XLogP2.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide 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

(3R)-N-methyl-3-[methyl-[(8-methylquinolin-5-yl)carbamoyl]amino]butanamide
CID 126443663
(3S)-N-methyl-3-[methyl(3-phenylsulfanylpropylcarbamoyl)amino]butanamide
CID 125444187
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096
3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide
CID 118769740
N-(2-ethylsulfanylphenyl)but-3-enamide
CID 162691877
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide
CID 54862879
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 104553186
3-(2-ethylsulfanylphenyl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
CID 118781362
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide
CID 92646111
(3R)-3-[1,3-benzothiazol-5-ylcarbamoyl(methyl)amino]-N-methylbutanamide
CID 125167132
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide?
The IUPAC name of (3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide (CID 125177880) is (3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide.
What is the SMILES notation for (3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide?
The canonical SMILES for (3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide is CCSc1ccccc1NC(=O)N(C)[C@@H](C)CC(=O)NC.
What is the InChIKey of (3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide?
The InChIKey is SVLPOGBIODTFFH-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-5-21-13-9-7-6-8-12(13)17-15(20)18(4)11(2)10-14(19)16-3/h6-9,11H,5,10H2,1-4H3,(H,16,19)(H,17,20)/t11-/m0/s1.
What are the key properties of (3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide?
(3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide has a molecular weight of 309.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide is sourced from PubChem (CID 125177880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).