4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide

C20H29NO4S — CID 126789437

IUPAC4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide
SMILESCOC1(CNC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CCCCC1
InChIInChI=1S/C20H29NO4S/c1-25-20(13-5-2-6-14-20)15-21-19(22)16-9-11-18(12-10-16)26(23,24)17-7-3-4-8-17/h9-12,17H,2-8,13-15H2,1H3,(H,21,22)
InChIKeyHSQZWHDPNMZTQZ-UHFFFAOYSA-N
MW379.52 g/mol
LogP3.48
Rot. Bonds6

About 4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide

4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide (PubChem CID 126789437) has the molecular formula C20H29NO4S and a molecular weight of 379.52 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide
PubChem CID126789437
Molecular FormulaC20H29NO4S
Molecular Weight379.52 g/mol
Exact Mass379.18
IUPAC Name4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide
SMILESCOC1(CNC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CCCCC1
InChIInChI=1S/C20H29NO4S/c1-25-20(13-5-2-6-14-20)15-21-19(22)16-9-11-18(12-10-16)26(23,24)17-7-3-4-8-17/h9-12,17H,2-8,13-15H2,1H3,(H,21,22)
InChIKeyHSQZWHDPNMZTQZ-UHFFFAOYSA-N
XLogP3.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide
CID 100665401
4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120651710
4-cycloheptylsulfonylbenzoic acid
CID 82925823
N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide
CID 104764689
N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide
CID 119523127
4-tert-butyl-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 146080554
4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide
CID 103991217
N-[(1-methylcyclohexyl)methyl]-4-sulfamoylbenzamide
CID 103754265
methyl N-[2-(4-cyclopentylsulfonylphenyl)ethyl]carbamate
CID 110790737
N-[(1-methylcyclopentyl)methyl]-4-sulfamoylbenzamide
CID 63821642
3-[(4-cyclopentylsulfonylbenzoyl)-methylamino]propanoic acid
CID 119362869
3-chloro-N-[(1-methoxycyclobutyl)methyl]-4-nitrobenzamide
CID 103993332

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide?
The IUPAC name of 4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide (CID 126789437) is 4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide?
The canonical SMILES for 4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide is COC1(CNC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CCCCC1.
What is the InChIKey of 4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide?
The InChIKey is HSQZWHDPNMZTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4S/c1-25-20(13-5-2-6-14-20)15-21-19(22)16-9-11-18(12-10-16)26(23,24)17-7-3-4-8-17/h9-12,17H,2-8,13-15H2,1H3,(H,21,22).
What are the key properties of 4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide?
4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide has a molecular weight of 379.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-N-[(1-methoxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 126789437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).