(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide

C17H29N3O3S — CID 119798970

IUPAC(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide
SMILESCc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C17H29N3O3S/c1-11-8-9-12(19-15(21)14(18)16(2,3)4)10-13(11)24(22,23)20-17(5,6)7/h8-10,14,20H,18H2,1-7H3,(H,19,21)/t14-/m1/s1
InChIKeyWJKXXDPZTGIFLQ-CQSZACIVSA-N
MW355.50 g/mol
LogP2.38
Rot. Bonds4

About (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide (PubChem CID 119798970) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide
PubChem CID119798970
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Name(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide
SMILESCc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C17H29N3O3S/c1-11-8-9-12(19-15(21)14(18)16(2,3)4)10-13(11)24(22,23)20-17(5,6)7/h8-10,14,20H,18H2,1-7H3,(H,19,21)/t14-/m1/s1
InChIKeyWJKXXDPZTGIFLQ-CQSZACIVSA-N
XLogP2.38
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 119679340
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119332400
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 119688794
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide
CID 120593058
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide
CID 119798978
(2S)-2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]-3,3-dimethylbutanamide
CID 119798894
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119808600

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide (CID 119798970) is (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide is Cc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide?
The InChIKey is WJKXXDPZTGIFLQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-11-8-9-12(19-15(21)14(18)16(2,3)4)10-13(11)24(22,23)20-17(5,6)7/h8-10,14,20H,18H2,1-7H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide has a molecular weight of 355.50 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119798970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).