4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide

C15H19N3O3S2 — CID 97146505

IUPAC4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nccs2)cc1
InChIInChI=1S/C15H19N3O3S2/c1-3-8-17-23(20,21)13-6-4-12(5-7-13)14(19)18-11(2)15-16-9-10-22-15/h4-7,9-11,17H,3,8H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyCGEHSMNUWKNKDC-LLVKDONJSA-N
MW353.47 g/mol
LogP2.32
Rot. Bonds7

About 4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide

4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 97146505) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID97146505
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nccs2)cc1
InChIInChI=1S/C15H19N3O3S2/c1-3-8-17-23(20,21)13-6-4-12(5-7-13)14(19)18-11(2)15-16-9-10-22-15/h4-7,9-11,17H,3,8H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyCGEHSMNUWKNKDC-LLVKDONJSA-N
XLogP2.32
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(propylsulfamoyl)benzamide
CID 124749289
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 95153133
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612917
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 46596325
4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193149
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107030826
3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
CID 75441285
4-[2-(dimethylamino)ethylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 109060131
4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
CID 51164261

Frequently Asked Questions

What is the IUPAC name of 4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 97146505) is 4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide is CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nccs2)cc1.
What is the InChIKey of 4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is CGEHSMNUWKNKDC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-3-8-17-23(20,21)13-6-4-12(5-7-13)14(19)18-11(2)15-16-9-10-22-15/h4-7,9-11,17H,3,8H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide?
4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 97146505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).