(3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide

C24H36N4O4S — CID 30836135

IUPAC(3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCCC1)[C@@H]1CC(=O)N(CCN2CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C24H36N4O4S/c29-23-17-21(24(30)25-18-20-7-3-1-4-8-20)19-27(23)14-11-26-12-15-28(16-13-26)33(31,32)22-9-5-2-6-10-22/h2,5-6,9-10,20-21H,1,3-4,7-8,11-19H2,(H,25,30)/t21-/m1/s1
InChIKeyWSSRETJHNLSTAL-OAQYLSRUSA-N
MW476.64 g/mol
LogP1.54
Rot. Bonds8

About (3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 30836135) has the molecular formula C24H36N4O4S and a molecular weight of 476.64 g/mol. Its IUPAC name is (3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID30836135
Molecular FormulaC24H36N4O4S
Molecular Weight476.64 g/mol
Exact Mass476.25
IUPAC Name(3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCCC1)[C@@H]1CC(=O)N(CCN2CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C24H36N4O4S/c29-23-17-21(24(30)25-18-20-7-3-1-4-8-20)19-27(23)14-11-26-12-15-28(16-13-26)33(31,32)22-9-5-2-6-10-22/h2,5-6,9-10,20-21H,1,3-4,7-8,11-19H2,(H,25,30)/t21-/m1/s1
InChIKeyWSSRETJHNLSTAL-OAQYLSRUSA-N
XLogP1.54
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 166259890
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
(3S)-5-oxo-1-(2-phenylethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 2471735
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346283
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 42996257
1-(4-chlorophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 3214745
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 94115136
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898464
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898459
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
N-[2-[1-(benzenesulfonyl)pyrrolidin-3-yl]ethyl]cyclooctanecarboxamide
CID 173136491

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 30836135) is (3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCC1CCCCC1)[C@@H]1CC(=O)N(CCN2CCN(S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of (3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WSSRETJHNLSTAL-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H36N4O4S/c29-23-17-21(24(30)25-18-20-7-3-1-4-8-20)19-27(23)14-11-26-12-15-28(16-13-26)33(31,32)22-9-5-2-6-10-22/h2,5-6,9-10,20-21H,1,3-4,7-8,11-19H2,(H,25,30)/t21-/m1/s1.
What are the key properties of (3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 476.64 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 30836135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).