(2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide

C20H26N2O4S — CID 170343253

IUPAC(2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
SMILESCO[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)c(C)c1)C(C)C
InChIInChI=1S/C20H26N2O4S/c1-13(2)19(26-5)20(23)21-16-9-10-18(15(4)12-16)27(24,25)22-17-8-6-7-14(3)11-17/h6-13,19,22H,1-5H3,(H,21,23)/t19-/m0/s1
InChIKeyBDZQECGTNRQYID-IBGZPJMESA-N
MW390.51 g/mol
LogP3.71
Rot. Bonds7

About (2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide

(2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide (PubChem CID 170343253) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is (2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
PubChem CID170343253
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name(2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
SMILESCO[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)c(C)c1)C(C)C
InChIInChI=1S/C20H26N2O4S/c1-13(2)19(26-5)20(23)21-16-9-10-18(15(4)12-16)27(24,25)22-17-8-6-7-14(3)11-17/h6-13,19,22H,1-5H3,(H,21,23)/t19-/m0/s1
InChIKeyBDZQECGTNRQYID-IBGZPJMESA-N
XLogP3.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide 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

2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 119679340
2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119679343
(2S)-2-amino-4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 119679357
4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide
CID 25342400
4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 120558919
N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414226
N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 43508604
methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate
CID 60621327
ethyl 2-chloro-4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 28575515
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of (2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide (CID 170343253) is (2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for (2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for (2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide is CO[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)c(C)c1)C(C)C.
What is the InChIKey of (2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide?
The InChIKey is BDZQECGTNRQYID-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-13(2)19(26-5)20(23)21-16-9-10-18(15(4)12-16)27(24,25)22-17-8-6-7-14(3)11-17/h6-13,19,22H,1-5H3,(H,21,23)/t19-/m0/s1.
What are the key properties of (2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide?
(2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide has a molecular weight of 390.51 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 170343253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).