(2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide

C14H21N3O4S — CID 139182784

IUPAC(2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](NS(=O)(=O)c1ccccc1NC(C)=O)C(C)C
InChIInChI=1S/C14H21N3O4S/c1-9(2)13(14(19)15-4)17-22(20,21)12-8-6-5-7-11(12)16-10(3)18/h5-9,13,17H,1-4H3,(H,15,19)(H,16,18)/t13-/m0/s1
InChIKeyOGLOCDJKZPOIDO-ZDUSSCGKSA-N
MW327.41 g/mol
LogP0.69
Rot. Bonds6

About (2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide

(2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide (PubChem CID 139182784) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is (2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide
PubChem CID139182784
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name(2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](NS(=O)(=O)c1ccccc1NC(C)=O)C(C)C
InChIInChI=1S/C14H21N3O4S/c1-9(2)13(14(19)15-4)17-22(20,21)12-8-6-5-7-11(12)16-10(3)18/h5-9,13,17H,1-4H3,(H,15,19)(H,16,18)/t13-/m0/s1
InChIKeyOGLOCDJKZPOIDO-ZDUSSCGKSA-N
XLogP0.69
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 6497355
2-ethyl-N-(4-sulfamoylphenyl)butyramide
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2-methyl-N-(4-sulfamoylphenyl)pentanamide
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2-methyl-N-(4-sulfamoylphenyl)butyramide
CID 4476238
3,3-dimethyl-N-(4-sulfamoylphenyl)butyramide
CID 4634582
2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxyacetamide
CID 9903557
2-amino-N-(4-sulfamoylphenyl)acetamide
CID 10633163
2-Amino-N-(3-sulfamoyl-phenyl)-acetamide
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CID 10847812

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide (CID 139182784) is (2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide is CNC(=O)[C@@H](NS(=O)(=O)c1ccccc1NC(C)=O)C(C)C.
What is the InChIKey of (2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide?
The InChIKey is OGLOCDJKZPOIDO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-9(2)13(14(19)15-4)17-22(20,21)12-8-6-5-7-11(12)16-10(3)18/h5-9,13,17H,1-4H3,(H,15,19)(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide?
(2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide has a molecular weight of 327.41 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide is sourced from PubChem (CID 139182784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).