3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide

C15H17N3O3S2 — CID 126790451

IUPAC3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide
SMILESCc1cnc(C(NS(=O)(=O)c2cccc(C(N)=O)c2)C2CC2)s1
InChIInChI=1S/C15H17N3O3S2/c1-9-8-17-15(22-9)13(10-5-6-10)18-23(20,21)12-4-2-3-11(7-12)14(16)19/h2-4,7-8,10,13,18H,5-6H2,1H3,(H2,16,19)
InChIKeyAOPZNJHSGNLIHN-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.98
Rot. Bonds6

About 3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide

3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide (PubChem CID 126790451) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide
PubChem CID126790451
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide
SMILESCc1cnc(C(NS(=O)(=O)c2cccc(C(N)=O)c2)C2CC2)s1
InChIInChI=1S/C15H17N3O3S2/c1-9-8-17-15(22-9)13(10-5-6-10)18-23(20,21)12-4-2-3-11(7-12)14(16)19/h2-4,7-8,10,13,18H,5-6H2,1H3,(H2,16,19)
InChIKeyAOPZNJHSGNLIHN-UHFFFAOYSA-N
XLogP1.98
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 71997322
N-[5-[[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]-2-fluorophenyl]acetamide
CID 99817300
3-(1-hydroxypropan-2-ylsulfamoyl)benzamide
CID 174892675
1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 96566132
(2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 96565673
4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115681422
1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 95967933
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111508025
N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 97217829
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111508030
5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 97008317
N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide
CID 17484062

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide?
The IUPAC name of 3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide (CID 126790451) is 3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide.
What is the SMILES notation for 3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide?
The canonical SMILES for 3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide is Cc1cnc(C(NS(=O)(=O)c2cccc(C(N)=O)c2)C2CC2)s1.
What is the InChIKey of 3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide?
The InChIKey is AOPZNJHSGNLIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-9-8-17-15(22-9)13(10-5-6-10)18-23(20,21)12-4-2-3-11(7-12)14(16)19/h2-4,7-8,10,13,18H,5-6H2,1H3,(H2,16,19).
What are the key properties of 3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide?
3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]sulfamoyl]benzamide is sourced from PubChem (CID 126790451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).