N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide

C15H16N2O4S2 — CID 7189652

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide
SMILESCC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccccc2)nc1C
InChIInChI=1S/C15H16N2O4S2/c1-10-14(11(2)18)22-15(16-10)17-13(19)8-9-23(20,21)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,17,19)
InChIKeyZSQRCPGDCRJULK-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.46
Rot. Bonds6

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide (PubChem CID 7189652) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide
PubChem CID7189652
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide
SMILESCC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccccc2)nc1C
InChIInChI=1S/C15H16N2O4S2/c1-10-14(11(2)18)22-15(16-10)17-13(19)8-9-23(20,21)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,17,19)
InChIKeyZSQRCPGDCRJULK-UHFFFAOYSA-N
XLogP2.46
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide (CID 7189652) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide is CC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccccc2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide?
The InChIKey is ZSQRCPGDCRJULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-10-14(11(2)18)22-15(16-10)17-13(19)8-9-23(20,21)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,17,19).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide has a molecular weight of 352.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(benzenesulfonyl)propanamide is sourced from PubChem (CID 7189652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).