3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide

C16H19N3O4S2 — CID 99941962

IUPAC3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1
InChIInChI=1S/C16H19N3O4S2/c20-16(18-10-15-17-5-7-24-15)13-2-1-3-14(8-13)25(21,22)19-9-12-4-6-23-11-12/h1-3,5,7-8,12,19H,4,6,9-11H2,(H,18,20)/t12-/m0/s1
InChIKeyZRRBSXLFDFCZQK-LBPRGKRZSA-N
MW381.48 g/mol
LogP1.39
Rot. Bonds7

About 3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide

3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 99941962) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID99941962
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1
InChIInChI=1S/C16H19N3O4S2/c20-16(18-10-15-17-5-7-24-15)13-2-1-3-14(8-13)25(21,22)19-9-12-4-6-23-11-12/h1-3,5,7-8,12,19H,4,6,9-11H2,(H,18,20)/t12-/m0/s1
InChIKeyZRRBSXLFDFCZQK-LBPRGKRZSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(oxolan-3-ylmethylsulfamoyl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 77091188
3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 77086446
N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide
CID 72855243
N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
CID 97192873
3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 99936530
formic acid;N-(oxolan-3-ylmethyl)-3-(2-pyrazol-1-ylethylsulfamoyl)benzamide
CID 163340405
N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide
CID 74241225
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 100624397
N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 94061219
3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77097621

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 99941962) is 3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide is O=C(NCc1nccs1)c1cccc(S(=O)(=O)NC[C@@H]2CCOC2)c1.
What is the InChIKey of 3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is ZRRBSXLFDFCZQK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c20-16(18-10-15-17-5-7-24-15)13-2-1-3-14(8-13)25(21,22)19-9-12-4-6-23-11-12/h1-3,5,7-8,12,19H,4,6,9-11H2,(H,18,20)/t12-/m0/s1.
What are the key properties of 3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide?
3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 99941962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).