(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide

C20H27N3O3S — CID 119679340

IUPAC(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](N)C(C)(C)C)ccc2C)c1
InChIInChI=1S/C20H27N3O3S/c1-13-7-6-8-16(11-13)23-27(25,26)17-12-15(10-9-14(17)2)22-19(24)18(21)20(3,4)5/h6-12,18,23H,21H2,1-5H3,(H,22,24)/t18-/m1/s1
InChIKeyDREJLVCHWNLHOR-GOSISDBHSA-N
MW389.52 g/mol
LogP3.42
Rot. Bonds5

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

(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide (PubChem CID 119679340) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
PubChem CID119679340
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](N)C(C)(C)C)ccc2C)c1
InChIInChI=1S/C20H27N3O3S/c1-13-7-6-8-16(11-13)23-27(25,26)17-12-15(10-9-14(17)2)22-19(24)18(21)20(3,4)5/h6-12,18,23H,21H2,1-5H3,(H,22,24)/t18-/m1/s1
InChIKeyDREJLVCHWNLHOR-GOSISDBHSA-N
XLogP3.42
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 119679357
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119798970
2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119679343
4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 120558919
4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide
CID 25342400
(2S)-2-methoxy-3-methyl-N-[3-methyl-4-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 170343253
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 39908102
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
CID 25342391
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide
CID 119293447

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide (CID 119679340) is (2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide is Cc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](N)C(C)(C)C)ccc2C)c1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide?
The InChIKey is DREJLVCHWNLHOR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-13-7-6-8-16(11-13)23-27(25,26)17-12-15(10-9-14(17)2)22-19(24)18(21)20(3,4)5/h6-12,18,23H,21H2,1-5H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide has a molecular weight of 389.52 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 119679340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).