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

C13H15N3O3S2 — CID 854185

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-10-2-4-11(5-3-10)21(18,19)15-7-6-12(17)16-13-14-8-9-20-13/h2-5,8-9,15H,6-7H2,1H3,(H,14,16,17)
InChIKeyNRAWHUBDNIMHHS-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.76
Rot. Bonds6

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

3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 854185) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID854185
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-10-2-4-11(5-3-10)21(18,19)15-7-6-12(17)16-13-14-8-9-20-13/h2-5,8-9,15H,6-7H2,1H3,(H,14,16,17)
InChIKeyNRAWHUBDNIMHHS-UHFFFAOYSA-N
XLogP1.76
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide (CID 854185) is 3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is NRAWHUBDNIMHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-10-2-4-11(5-3-10)21(18,19)15-7-6-12(17)16-13-14-8-9-20-13/h2-5,8-9,15H,6-7H2,1H3,(H,14,16,17).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 325.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 854185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).