N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide

C18H23N3O3S — CID 71884484

IUPACN-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C1(C#N)CCC1
InChIInChI=1S/C18H23N3O3S/c1-21(18(13-19)10-5-11-18)17(22)14-6-4-9-16(12-14)25(23,24)20-15-7-2-3-8-15/h4,6,9,12,15,20H,2-3,5,7-8,10-11H2,1H3
InChIKeyCRGGSOQDBCACJD-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.43
Rot. Bonds5

About N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide

N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide (PubChem CID 71884484) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide
PubChem CID71884484
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C1(C#N)CCC1
InChIInChI=1S/C18H23N3O3S/c1-21(18(13-19)10-5-11-18)17(22)14-6-4-9-16(12-14)25(23,24)20-15-7-2-3-8-15/h4,6,9,12,15,20H,2-3,5,7-8,10-11H2,1H3
InChIKeyCRGGSOQDBCACJD-UHFFFAOYSA-N
XLogP2.43
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119191474
3-(cyclobutylsulfamoyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 72939295
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cyclopentylsulfamoyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 46577867
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopentylsulfamoyl)benzenecarbothioamide
CID 24690582
3-(cycloheptylsulfamoyl)benzenecarbothioamide
CID 43346188
3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31842594

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide (CID 71884484) is N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide is CN(C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C1(C#N)CCC1.
What is the InChIKey of N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide?
The InChIKey is CRGGSOQDBCACJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-21(18(13-19)10-5-11-18)17(22)14-6-4-9-16(12-14)25(23,24)20-15-7-2-3-8-15/h4,6,9,12,15,20H,2-3,5,7-8,10-11H2,1H3.
What are the key properties of N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide?
N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide has a molecular weight of 361.47 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-3-(cyclopentylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 71884484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).