4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide

C22H27NO4S — CID 86943568

IUPAC4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N(CCO)CCc1ccccc1
InChIInChI=1S/C22H27NO4S/c24-17-16-23(15-14-18-6-2-1-3-7-18)22(25)19-10-12-21(13-11-19)28(26,27)20-8-4-5-9-20/h1-3,6-7,10-13,20,24H,4-5,8-9,14-17H2
InChIKeyPNROBUFEQJYODQ-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.08
Rot. Bonds8

About 4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide

4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide (PubChem CID 86943568) has the molecular formula C22H27NO4S and a molecular weight of 401.53 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
PubChem CID86943568
Molecular FormulaC22H27NO4S
Molecular Weight401.53 g/mol
Exact Mass401.17
IUPAC Name4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N(CCO)CCc1ccccc1
InChIInChI=1S/C22H27NO4S/c24-17-16-23(15-14-18-6-2-1-3-7-18)22(25)19-10-12-21(13-11-19)28(26,27)20-8-4-5-9-20/h1-3,6-7,10-13,20,24H,4-5,8-9,14-17H2
InChIKeyPNROBUFEQJYODQ-UHFFFAOYSA-N
XLogP3.08
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyclopentylsulfonylbenzoyl)-methylamino]propanoic acid
CID 119362869
3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943575
N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120885122
4-(dimethylsulfamoyl)-N-ethyl-N-(2-phenylethyl)benzamide
CID 55588043
4-cyclopentylsulfonyl-N-[3-(hydroxymethyl)phenyl]-N-methylbenzamide
CID 91651646
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide
CID 2343621
2-[2-phenylethyl-(4-propan-2-ylsulfonylbenzoyl)amino]acetic acid
CID 119347223
N-(2-hydroxyethyl)-N-(2-phenylethyl)thiophene-3-carboxamide
CID 111122178
N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120886326
N-ethyl-N-(2-phenylethyl)-4-(phenylsulfamoyl)benzamide
CID 55587739
4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
CID 60655214
methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate
CID 110790737

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide (CID 86943568) is 4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide is O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N(CCO)CCc1ccccc1.
What is the InChIKey of 4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The InChIKey is PNROBUFEQJYODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4S/c24-17-16-23(15-14-18-6-2-1-3-7-18)22(25)19-10-12-21(13-11-19)28(26,27)20-8-4-5-9-20/h1-3,6-7,10-13,20,24H,4-5,8-9,14-17H2.
What are the key properties of 4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide has a molecular weight of 401.53 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 86943568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).