(2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide

C19H20ClN3O4S — CID 24576018

IUPAC(2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
SMILESCc1nc2cc(NC(=O)[C@@H](NS(=O)(=O)c3cccc(Cl)c3)C(C)C)ccc2o1
InChIInChI=1S/C19H20ClN3O4S/c1-11(2)18(23-28(25,26)15-6-4-5-13(20)9-15)19(24)22-14-7-8-17-16(10-14)21-12(3)27-17/h4-11,18,23H,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyMAVRMSWESKPKSB-SFHVURJKSA-N
MW421.91 g/mol
LogP3.73
Rot. Bonds6

About (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide

(2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide (PubChem CID 24576018) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
PubChem CID24576018
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name(2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
SMILESCc1nc2cc(NC(=O)[C@@H](NS(=O)(=O)c3cccc(Cl)c3)C(C)C)ccc2o1
InChIInChI=1S/C19H20ClN3O4S/c1-11(2)18(23-28(25,26)15-6-4-5-13(20)9-15)19(24)22-14-7-8-17-16(10-14)21-12(3)27-17/h4-11,18,23H,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyMAVRMSWESKPKSB-SFHVURJKSA-N
XLogP3.73
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)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

(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 26684004
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 34303904
(2R)-N-(3-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide
CID 2462966
(2S)-N-(3-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide
CID 2462964
(2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
CID 39951551
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474428
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 9319554
N-(3-chlorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbutanamide
CID 55334987

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide (CID 24576018) is (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide is Cc1nc2cc(NC(=O)[C@@H](NS(=O)(=O)c3cccc(Cl)c3)C(C)C)ccc2o1.
What is the InChIKey of (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is MAVRMSWESKPKSB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-11(2)18(23-28(25,26)15-6-4-5-13(20)9-15)19(24)22-14-7-8-17-16(10-14)21-12(3)27-17/h4-11,18,23H,1-3H3,(H,22,24)/t18-/m0/s1.
What are the key properties of (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide?
(2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 421.91 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 24576018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).