N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide

C24H27N5O4S — CID 24614142

IUPACN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)CC2)cc1
InChIInChI=1S/C24H27N5O4S/c25-16-17-3-6-20(7-4-17)34(32,33)29-13-9-18(10-14-29)24(31)27-21-15-19(23(26)30)5-8-22(21)28-11-1-2-12-28/h3-8,15,18H,1-2,9-14H2,(H2,26,30)(H,27,31)
InChIKeyAZASYQHNHJQUTR-UHFFFAOYSA-N
MW481.58 g/mol
LogP2.30
Rot. Bonds6

About N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 24614142) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID24614142
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)CC2)cc1
InChIInChI=1S/C24H27N5O4S/c25-16-17-3-6-20(7-4-17)34(32,33)29-13-9-18(10-14-29)24(31)27-21-15-19(23(26)30)5-8-22(21)28-11-1-2-12-28/h3-8,15,18H,1-2,9-14H2,(H2,26,30)(H,27,31)
InChIKeyAZASYQHNHJQUTR-UHFFFAOYSA-N
XLogP2.30
TPSA136.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 30778995
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 134008646
N-(3-chloro-2-methylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 9074610
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24686797
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466
N-(5-carbamoyl-2-methoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55783035
1-(4-cyanophenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 26692920
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
N-[2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 23823350
1-(4-tert-butylphenyl)sulfonyl-N-(4-cyanophenyl)piperidine-4-carboxamide
CID 26289870
1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 26520187
1-(4-cyanophenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide (CID 24614142) is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide is N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)CC2)cc1.
What is the InChIKey of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is AZASYQHNHJQUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c25-16-17-3-6-20(7-4-17)34(32,33)29-13-9-18(10-14-29)24(31)27-21-15-19(23(26)30)5-8-22(21)28-11-1-2-12-28/h3-8,15,18H,1-2,9-14H2,(H2,26,30)(H,27,31).
What are the key properties of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide?
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24614142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).