3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide

C17H25N3O4S — CID 119450739

IUPAC3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
SMILESCOc1ccc(C(=O)NC2CCNC2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H25N3O4S/c1-24-15-7-6-12(17(21)19-14-8-9-18-11-14)10-16(15)25(22,23)20-13-4-2-3-5-13/h6-7,10,13-14,18,20H,2-5,8-9,11H2,1H3,(H,19,21)
InChIKeyRAPGHEHMJLKIKF-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.01
Rot. Bonds6

About 3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide

3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide (PubChem CID 119450739) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
PubChem CID119450739
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
SMILESCOc1ccc(C(=O)NC2CCNC2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H25N3O4S/c1-24-15-7-6-12(17(21)19-14-8-9-18-11-14)10-16(15)25(22,23)20-13-4-2-3-5-13/h6-7,10,13-14,18,20H,2-5,8-9,11H2,1H3,(H,19,21)
InChIKeyRAPGHEHMJLKIKF-UHFFFAOYSA-N
XLogP1.01
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 124727033
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426236
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426527
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
CID 120706280
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide (CID 119450739) is 3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide is COc1ccc(C(=O)NC2CCNC2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide?
The InChIKey is RAPGHEHMJLKIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-24-15-7-6-12(17(21)19-14-8-9-18-11-14)10-16(15)25(22,23)20-13-4-2-3-5-13/h6-7,10,13-14,18,20H,2-5,8-9,11H2,1H3,(H,19,21).
What are the key properties of 3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide?
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide has a molecular weight of 367.47 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119450739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).