3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide

C18H21N3O4S — CID 97201095

IUPAC3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1
InChIInChI=1S/C18H21N3O4S/c22-18(20-10-6-14-4-8-19-9-5-14)15-2-1-3-17(12-15)26(23,24)21-16-7-11-25-13-16/h1-5,8-9,12,16,21H,6-7,10-11,13H2,(H,20,22)/t16-/m0/s1
InChIKeyKDILJEFIVMDCDE-INIZCTEOSA-N
MW375.45 g/mol
LogP1.12
Rot. Bonds7

About 3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide

3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 97201095) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID97201095
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1
InChIInChI=1S/C18H21N3O4S/c22-18(20-10-6-14-4-8-19-9-5-14)15-2-1-3-17(12-15)26(23,24)21-16-7-11-25-13-16/h1-5,8-9,12,16,21H,6-7,10-11,13H2,(H,20,22)/t16-/m0/s1
InChIKeyKDILJEFIVMDCDE-INIZCTEOSA-N
XLogP1.12
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-3-ylsulfamoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 77086446
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-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide
CID 97192159
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
N-methyl-3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 99930348
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 97115789
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide (CID 97201095) is 3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide is O=C(NCCc1ccncc1)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1.
What is the InChIKey of 3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is KDILJEFIVMDCDE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-18(20-10-6-14-4-8-19-9-5-14)15-2-1-3-17(12-15)26(23,24)21-16-7-11-25-13-16/h1-5,8-9,12,16,21H,6-7,10-11,13H2,(H,20,22)/t16-/m0/s1.
What are the key properties of 3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide?
3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 97201095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).