(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide

C13H20ClN3O3S — CID 103928886

IUPAC(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C13H20ClN3O3S/c1-13(2,3)11(15)12(18)16-8-5-6-10(9(14)7-8)17-21(4,19)20/h5-7,11,17H,15H2,1-4H3,(H,16,18)/t11-/m0/s1
InChIKeyHHJRCLXYMYRUOZ-NSHDSACASA-N
MW333.84 g/mol
LogP2.02
Rot. Bonds4

About (2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide (PubChem CID 103928886) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide
PubChem CID103928886
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C13H20ClN3O3S/c1-13(2,3)11(15)12(18)16-8-5-6-10(9(14)7-8)17-21(4,19)20/h5-7,11,17H,15H2,1-4H3,(H,16,18)/t11-/m0/s1
InChIKeyHHJRCLXYMYRUOZ-NSHDSACASA-N
XLogP2.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 70963721
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide
CID 43711077
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928285
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)-3,3-dimethylbutanamide
CID 61178407
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide
CID 47030973
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
(2S)-2-amino-N-(3-chloro-4-cyanophenyl)-3,3-dimethylbutanamide
CID 61149342
2-amino-N-(3-chloro-4-nitrophenyl)-3,3-dimethylbutanamide
CID 112555883
4-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 81076100
N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide
CID 65337880

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide (CID 103928886) is (2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of (2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide?
The InChIKey is HHJRCLXYMYRUOZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-13(2,3)11(15)12(18)16-8-5-6-10(9(14)7-8)17-21(4,19)20/h5-7,11,17H,15H2,1-4H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide has a molecular weight of 333.84 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103928886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).