(2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide

C15H25N3O3S — CID 119794996

IUPAC(2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C15H25N3O3S/c1-5-9-22(20,21)18-12-8-6-7-11(10-12)17-14(19)13(16)15(2,3)4/h6-8,10,13,18H,5,9,16H2,1-4H3,(H,17,19)/t13-/m1/s1
InChIKeyKCYWLNAJHFKXLW-CYBMUJFWSA-N
MW327.45 g/mol
LogP2.15
Rot. Bonds6

About (2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide (PubChem CID 119794996) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide
PubChem CID119794996
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C15H25N3O3S/c1-5-9-22(20,21)18-12-8-6-7-11(10-12)17-14(19)13(16)15(2,3)4/h6-8,10,13,18H,5,9,16H2,1-4H3,(H,17,19)/t13-/m1/s1
InChIKeyKCYWLNAJHFKXLW-CYBMUJFWSA-N
XLogP2.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide;hydrochloride
CID 119794995
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide
CID 120794168
2-chloro-N-[3-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxopentanamide
CID 88747731
2-amino-2-phenyl-N-[3-(propylsulfonylamino)phenyl]propanamide;hydrochloride
CID 120592815
ethyl 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]benzoate
CID 103929675
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 119688794
(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide
CID 61177892
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 119679340
(2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide
CID 119768827

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide (CID 119794996) is (2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide is CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide?
The InChIKey is KCYWLNAJHFKXLW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-5-9-22(20,21)18-12-8-6-7-11(10-12)17-14(19)13(16)15(2,3)4/h6-8,10,13,18H,5,9,16H2,1-4H3,(H,17,19)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[3-(propylsulfonylamino)phenyl]butanamide has a molecular weight of 327.45 g/mol, XLogP of 2.15, 6 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-[3-(propylsulfonylamino)phenyl]butanamide is sourced from PubChem (CID 119794996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).