N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide

C18H26N2O4S — CID 60603204

IUPACN-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCN(CC1CCCC1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H26N2O4S/c1-19(14-15-5-2-3-6-15)18(21)16-7-4-8-17(13-16)25(22,23)20-9-11-24-12-10-20/h4,7-8,13,15H,2-3,5-6,9-12,14H2,1H3
InChIKeyMCFFIVDEMJOYJL-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.97
Rot. Bonds5

About N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide

N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 60603204) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID60603204
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCN(CC1CCCC1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H26N2O4S/c1-19(14-15-5-2-3-6-15)18(21)16-7-4-8-17(13-16)25(22,23)20-9-11-24-12-10-20/h4,7-8,13,15H,2-3,5-6,9-12,14H2,1H3
InChIKeyMCFFIVDEMJOYJL-UHFFFAOYSA-N
XLogP1.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-N-methylbenzamide
CID 36553254
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
N-cyclopentyl-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 134059774
N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
CID 52568346
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 51181492
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 9295928
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine
CID 71891524
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 9226975

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 60603204) is N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide is CN(CC1CCCC1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MCFFIVDEMJOYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-19(14-15-5-2-3-6-15)18(21)16-7-4-8-17(13-16)25(22,23)20-9-11-24-12-10-20/h4,7-8,13,15H,2-3,5-6,9-12,14H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 366.48 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 60603204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).