N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide

C16H23ClN2O3S — CID 51124450

IUPACN-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide
SMILESCN(C)c1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O3S/c1-19(2)15-8-7-12(11-14(15)17)18-16(20)9-10-23(21,22)13-5-3-4-6-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeySJUSECRJNYNINS-UHFFFAOYSA-N
MW358.89 g/mol
LogP3.09
Rot. Bonds6

About N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide

N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide (PubChem CID 51124450) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide
PubChem CID51124450
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide
SMILESCN(C)c1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O3S/c1-19(2)15-8-7-12(11-14(15)17)18-16(20)9-10-23(21,22)13-5-3-4-6-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeySJUSECRJNYNINS-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide
CID 55920389
5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
CID 107909156
3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide
CID 49362888
N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide
CID 122144774
3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 55889543
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
CID 82852474
N-[3-chloro-4-(dimethylamino)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 55822561
N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 47047282
3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 55864853
3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
CID 55789622
N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide
CID 56540193
3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47041448

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide?
The IUPAC name of N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide (CID 51124450) is N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide.
What is the SMILES notation for N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide?
The canonical SMILES for N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide is CN(C)c1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide?
The InChIKey is SJUSECRJNYNINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-19(2)15-8-7-12(11-14(15)17)18-16(20)9-10-23(21,22)13-5-3-4-6-13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide?
N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide has a molecular weight of 358.89 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide is sourced from PubChem (CID 51124450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).