(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide

C14H17N3O3S2 — CID 2118573

IUPAC(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C14H17N3O3S2/c1-10(2)12(13(18)16-14-15-8-9-21-14)17-22(19,20)11-6-4-3-5-7-11/h3-10,12,17H,1-2H3,(H,15,16,18)/t12-/m1/s1
InChIKeyJUXMWDOOFIEIMA-GFCCVEGCSA-N
MW339.44 g/mol
LogP2.08
Rot. Bonds6

About (2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide

(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 2118573) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID2118573
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C14H17N3O3S2/c1-10(2)12(13(18)16-14-15-8-9-21-14)17-22(19,20)11-6-4-3-5-7-11/h3-10,12,17H,1-2H3,(H,15,16,18)/t12-/m1/s1
InChIKeyJUXMWDOOFIEIMA-GFCCVEGCSA-N
XLogP2.08
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 3613699
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 5322974
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-methyl-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 2666515
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide
CID 3265126
3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 42770101
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
CID 110502528
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
2-[(4-tert-butylphenyl)sulfonylamino]-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 5084034
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of (2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide (CID 2118573) is (2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide is CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1.
What is the InChIKey of (2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is JUXMWDOOFIEIMA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-10(2)12(13(18)16-14-15-8-9-21-14)17-22(19,20)11-6-4-3-5-7-11/h3-10,12,17H,1-2H3,(H,15,16,18)/t12-/m1/s1.
What are the key properties of (2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide?
(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 339.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2118573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).