N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide

C19H30N2O3S — CID 110355911

IUPACN-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-3-4-15-21(2)19(22)14-11-16-9-12-18(13-10-16)25(23,24)20-17-7-5-6-8-17/h9-10,12-13,17,20H,3-8,11,14-15H2,1-2H3
InChIKeyAVFMQXFUQHRLKP-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.10
Rot. Bonds9

About N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide

N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide (PubChem CID 110355911) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide
PubChem CID110355911
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-3-4-15-21(2)19(22)14-11-16-9-12-18(13-10-16)25(23,24)20-17-7-5-6-8-17/h9-10,12-13,17,20H,3-8,11,14-15H2,1-2H3
InChIKeyAVFMQXFUQHRLKP-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide
CID 55956173
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51191477
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide
CID 90649211
ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 84556985
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide?
The IUPAC name of N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide (CID 110355911) is N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide?
The canonical SMILES for N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide is CCCCN(C)C(=O)CCc1ccc(S(=O)(=O)NC2CCCC2)cc1.
What is the InChIKey of N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide?
The InChIKey is AVFMQXFUQHRLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-3-4-15-21(2)19(22)14-11-16-9-12-18(13-10-16)25(23,24)20-17-7-5-6-8-17/h9-10,12-13,17,20H,3-8,11,14-15H2,1-2H3.
What are the key properties of N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide?
N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide has a molecular weight of 366.53 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide is sourced from PubChem (CID 110355911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).