N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide

C18H25NO4S — CID 86847260

IUPACN-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide
SMILESCC(OCC1CC1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C18H25NO4S/c1-13(23-12-14-6-7-14)18(20)19-15-8-10-17(11-9-15)24(21,22)16-4-2-3-5-16/h8-11,13-14,16H,2-7,12H2,1H3,(H,19,20)
InChIKeyQQRCMSQGMVYLPM-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.16
Rot. Bonds7

About N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide

N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide (PubChem CID 86847260) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide
PubChem CID86847260
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC NameN-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide
SMILESCC(OCC1CC1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C18H25NO4S/c1-13(23-12-14-6-7-14)18(20)19-15-8-10-17(11-9-15)24(21,22)16-4-2-3-5-16/h8-11,13-14,16H,2-7,12H2,1H3,(H,19,20)
InChIKeyQQRCMSQGMVYLPM-UHFFFAOYSA-N
XLogP3.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(cyclopropylmethoxy)propanoylamino]-N-methylbenzamide
CID 47422905
(2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide
CID 99776072
N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide
CID 42957046
2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 47079469
3-[[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
CID 95383218
3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
CID 95383219
2-(cyclopropylmethoxy)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 48530161
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-2-methoxypropanamide
CID 124730678
5-[2-(cyclopropylmethoxy)propanoylamino]-2-fluoro-N-methylbenzamide
CID 49176640
(2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide
CID 97342418
1-(4-cyclopentylsulfonylphenyl)-3-(2-methylprop-2-enyl)urea
CID 86802266
N-phenyl-2-(piperidin-3-ylmethoxy)propanamide
CID 62340568

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide?
The IUPAC name of N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide (CID 86847260) is N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide.
What is the SMILES notation for N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide?
The canonical SMILES for N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide is CC(OCC1CC1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide?
The InChIKey is QQRCMSQGMVYLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-13(23-12-14-6-7-14)18(20)19-15-8-10-17(11-9-15)24(21,22)16-4-2-3-5-16/h8-11,13-14,16H,2-7,12H2,1H3,(H,19,20).
What are the key properties of N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide?
N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide has a molecular weight of 351.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide is sourced from PubChem (CID 86847260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).