4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide

C18H29N3O3S — CID 119531585

IUPAC4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C1CCNC1
InChIInChI=1S/C18H29N3O3S/c1-4-13-21(16-11-12-19-14-16)18(22)15-7-9-17(10-8-15)25(23,24)20(5-2)6-3/h7-10,16,19H,4-6,11-14H2,1-3H3
InChIKeyNWSICGIEVGMVFP-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.93
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide

4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 119531585) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
PubChem CID119531585
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C1CCNC1
InChIInChI=1S/C18H29N3O3S/c1-4-13-21(16-11-12-19-14-16)18(22)15-7-9-17(10-8-15)25(23,24)20(5-2)6-3/h7-10,16,19H,4-6,11-14H2,1-3H3
InChIKeyNWSICGIEVGMVFP-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
CID 119530020
4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529858
N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530957
3-(diethylsulfamoyl)-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825801
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119531624
4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823590
N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533288
4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119532098

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide (CID 119531585) is 4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide is CCCN(C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C1CCNC1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is NWSICGIEVGMVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-13-21(16-11-12-19-14-16)18(22)15-7-9-17(10-8-15)25(23,24)20(5-2)6-3/h7-10,16,19H,4-6,11-14H2,1-3H3.
What are the key properties of 4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide?
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 367.52 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119531585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).