N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C23H29N3O4S — CID 24633069

IUPACN-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C23H29N3O4S/c27-23(25-20-12-13-26(17-20)16-18-5-2-1-3-6-18)19-8-10-22(11-9-19)31(28,29)24-15-21-7-4-14-30-21/h1-3,5-6,8-11,20-21,24H,4,7,12-17H2,(H,25,27)
InChIKeyTXUWVPXNJBCITH-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.15
Rot. Bonds8

About N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24633069) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID24633069
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C23H29N3O4S/c27-23(25-20-12-13-26(17-20)16-18-5-2-1-3-6-18)19-8-10-22(11-9-19)31(28,29)24-15-21-7-4-14-30-21/h1-3,5-6,8-11,20-21,24H,4,7,12-17H2,(H,25,27)
InChIKeyTXUWVPXNJBCITH-UHFFFAOYSA-N
XLogP2.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55959805
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119450353
N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide
CID 42907504
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-[(4-benzylmorpholin-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55526641
N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55653777
4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide
CID 24552448
N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17436953
N-(2-chlorophenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428408
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27809540

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 24633069) is N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is TXUWVPXNJBCITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c27-23(25-20-12-13-26(17-20)16-18-5-2-1-3-6-18)19-8-10-22(11-9-19)31(28,29)24-15-21-7-4-14-30-21/h1-3,5-6,8-11,20-21,24H,4,7,12-17H2,(H,25,27).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 443.57 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24633069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).