3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

C16H19N3O4S2 — CID 77086446

IUPAC3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1cccc(S(=O)(=O)NC2CCOC2)c1
InChIInChI=1S/C16H19N3O4S2/c20-16(18-6-4-15-17-7-9-24-15)12-2-1-3-14(10-12)25(21,22)19-13-5-8-23-11-13/h1-3,7,9-10,13,19H,4-6,8,11H2,(H,18,20)
InChIKeyUDAWMZUSPWYCFQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.18
Rot. Bonds7

About 3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 77086446) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID77086446
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1cccc(S(=O)(=O)NC2CCOC2)c1
InChIInChI=1S/C16H19N3O4S2/c20-16(18-6-4-15-17-7-9-24-15)12-2-1-3-14(10-12)25(21,22)19-13-5-8-23-11-13/h1-3,7,9-10,13,19H,4-6,8,11H2,(H,18,20)
InChIKeyUDAWMZUSPWYCFQ-UHFFFAOYSA-N
XLogP1.18
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide
CID 97201095
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(oxolan-3-ylsulfamoyl)benzamide
CID 74242784
3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 99819133
3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 99941962
3-(oxolan-3-ylmethylsulfamoyl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 77091188
3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide
CID 97192159
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 99930348
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopentylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 166188646
N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide
CID 72855243
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 77086446) is 3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nccs1)c1cccc(S(=O)(=O)NC2CCOC2)c1.
What is the InChIKey of 3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is UDAWMZUSPWYCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c20-16(18-6-4-15-17-7-9-24-15)12-2-1-3-14(10-12)25(21,22)19-13-5-8-23-11-13/h1-3,7,9-10,13,19H,4-6,8,11H2,(H,18,20).
What are the key properties of 3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 77086446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).