N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide

C18H27N3O3S — CID 97194696

IUPACN-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide
SMILESCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)C1
InChIInChI=1S/C18H27N3O3S/c1-20-11-10-16(13-20)21(2)25(23,24)17-9-5-6-14(12-17)18(22)19-15-7-3-4-8-15/h5-6,9,12,15-16H,3-4,7-8,10-11,13H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyHYOACISGOJRBJR-MRXNPFEDSA-N
MW365.50 g/mol
LogP1.68
Rot. Bonds5

About N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide

N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide (PubChem CID 97194696) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide
PubChem CID97194696
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide
SMILESCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)C1
InChIInChI=1S/C18H27N3O3S/c1-20-11-10-16(13-20)21(2)25(23,24)17-9-5-6-14(12-17)18(22)19-15-7-3-4-8-15/h5-6,9,12,15-16H,3-4,7-8,10-11,13H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyHYOACISGOJRBJR-MRXNPFEDSA-N
XLogP1.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
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3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417
3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
CID 9264466
3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide
CID 120598273
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247619
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994
N-(1-methylpiperidin-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 50947164

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide (CID 97194696) is N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide is CN1CC[C@@H](N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)C1.
What is the InChIKey of N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide?
The InChIKey is HYOACISGOJRBJR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-20-11-10-16(13-20)21(2)25(23,24)17-9-5-6-14(12-17)18(22)19-15-7-3-4-8-15/h5-6,9,12,15-16H,3-4,7-8,10-11,13H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide?
N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide has a molecular weight of 365.50 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 97194696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).