1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide

C18H24N2O4S — CID 110387732

IUPAC1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N2O4S/c21-17-13-12-16(18(22)19-14-8-4-1-2-5-9-14)20(17)25(23,24)15-10-6-3-7-11-15/h3,6-7,10-11,14,16H,1-2,4-5,8-9,12-13H2,(H,19,22)
InChIKeyCCXFEKYHVQYURB-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.21
Rot. Bonds4

About 1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide

1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 110387732) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide
PubChem CID110387732
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N2O4S/c21-17-13-12-16(18(22)19-14-8-4-1-2-5-9-14)20(17)25(23,24)15-10-6-3-7-11-15/h3,6-7,10-11,14,16H,1-2,4-5,8-9,12-13H2,(H,19,22)
InChIKeyCCXFEKYHVQYURB-UHFFFAOYSA-N
XLogP2.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclooctyl-1-(3,4-dimethylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 95074305
(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 27260603
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
CID 53008162
1-(benzenesulfonyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110387691
(2R)-1-(benzenesulfonyl)-N-naphthalen-1-yl-5-oxopyrrolidine-2-carboxamide
CID 92726400
(5S)-1-(benzenesulfonyl)-5-(4-cyclohexylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 92751774
N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387755
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
1-(benzenesulfonyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46351356
1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide
CID 4767736
(5S)-1-(benzenesulfonyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 92751778

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide (CID 110387732) is 1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide is O=C(NC1CCCCCC1)C1CCC(=O)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is CCXFEKYHVQYURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c21-17-13-12-16(18(22)19-14-8-4-1-2-5-9-14)20(17)25(23,24)15-10-6-3-7-11-15/h3,6-7,10-11,14,16H,1-2,4-5,8-9,12-13H2,(H,19,22).
What are the key properties of 1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide?
1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110387732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).