2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide

C13H15N3O3S2 — CID 3613699

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-9-3-5-11(6-4-9)21(18,19)16-10(2)12(17)15-13-14-7-8-20-13/h3-8,10,16H,1-2H3,(H,14,15,17)
InChIKeyOETSUSQAFCAZIO-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.76
Rot. Bonds5

About 2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide

2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3613699) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3613699
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-9-3-5-11(6-4-9)21(18,19)16-10(2)12(17)15-13-14-7-8-20-13/h3-8,10,16H,1-2H3,(H,14,15,17)
InChIKeyOETSUSQAFCAZIO-UHFFFAOYSA-N
XLogP1.76
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 2118573
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
CID 110502528
(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 2232967
2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide
CID 3265126
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
(2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide
CID 164862469
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370496
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 3580359

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide (CID 3613699) is 2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide is Cc1ccc(S(=O)(=O)NC(C)C(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is OETSUSQAFCAZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-9-3-5-11(6-4-9)21(18,19)16-10(2)12(17)15-13-14-7-8-20-13/h3-8,10,16H,1-2H3,(H,14,15,17).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 325.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3613699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).