N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide

C15H22N2O3S — CID 52793258

IUPACN-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide
SMILESCN(CC1CCCC1)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O3S/c1-17(11-12-6-3-4-7-12)15(18)13-8-5-9-14(10-13)16-21(2,19)20/h5,8-10,12,16H,3-4,6-7,11H2,1-2H3
InChIKeyHQCSEGXPNVMMHS-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.32
Rot. Bonds5

About N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide

N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide (PubChem CID 52793258) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide
PubChem CID52793258
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide
SMILESCN(CC1CCCC1)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O3S/c1-17(11-12-6-3-4-7-12)15(18)13-8-5-9-14(10-13)16-21(2,19)20/h5,8-10,12,16H,3-4,6-7,11H2,1-2H3
InChIKeyHQCSEGXPNVMMHS-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-N-methyl-3-(methylamino)benzamide
CID 115160920
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 42951669
3-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-N-methylbenzamide
CID 36553254
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31144744
3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 24673390
(3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide
CID 92729695
N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94822193
N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide
CID 32541665
N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60603204

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide (CID 52793258) is N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide is CN(CC1CCCC1)C(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is HQCSEGXPNVMMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-17(11-12-6-3-4-7-12)15(18)13-8-5-9-14(10-13)16-21(2,19)20/h5,8-10,12,16H,3-4,6-7,11H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide?
N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 310.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 52793258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).