N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide

C22H32N2O4S — CID 55920389

IUPACN-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)cc1)C1CCCCC1
InChIInChI=1S/C22H32N2O4S/c1-24(19-7-3-2-4-8-19)22(26)17-11-13-18(14-12-17)23-21(25)15-16-29(27,28)20-9-5-6-10-20/h11-14,19-20H,2-10,15-16H2,1H3,(H,23,25)
InChIKeyWDVHKSSYTRQVRV-UHFFFAOYSA-N
MW420.58 g/mol
LogP3.78
Rot. Bonds7

About N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide

N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide (PubChem CID 55920389) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide
PubChem CID55920389
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC NameN-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)cc1)C1CCCCC1
InChIInChI=1S/C22H32N2O4S/c1-24(19-7-3-2-4-8-19)22(26)17-11-13-18(14-12-17)23-21(25)15-16-29(27,28)20-9-5-6-10-20/h11-14,19-20H,2-10,15-16H2,1H3,(H,23,25)
InChIKeyWDVHKSSYTRQVRV-UHFFFAOYSA-N
XLogP3.78
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide
CID 60549241
N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride
CID 119743408
N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55978627
N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide
CID 51124450
4-[(4-amino-3-methoxybutanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 120589876
3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 55864853
N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119743419
4-[(3-amino-3-phenylpropanoyl)amino]-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119950414
4-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 28567343
3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide
CID 49362888
3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 55756704
N-cyclohexyl-N-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]benzamide
CID 55920262

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide?
The IUPAC name of N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide (CID 55920389) is N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide?
The canonical SMILES for N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide is CN(C(=O)c1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide?
The InChIKey is WDVHKSSYTRQVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4S/c1-24(19-7-3-2-4-8-19)22(26)17-11-13-18(14-12-17)23-21(25)15-16-29(27,28)20-9-5-6-10-20/h11-14,19-20H,2-10,15-16H2,1H3,(H,23,25).
What are the key properties of N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide?
N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide has a molecular weight of 420.58 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide is sourced from PubChem (CID 55920389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).