N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide

C19H28N2O3S — CID 30148136

IUPACN-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1
InChIInChI=1S/C19H28N2O3S/c22-19(17-6-2-1-3-7-17)20-13-12-16-8-10-18(11-9-16)25(23,24)21-14-4-5-15-21/h8-11,17H,1-7,12-15H2,(H,20,22)
InChIKeyHQKLQDSBVKLTPP-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide

N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide (PubChem CID 30148136) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
PubChem CID30148136
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1
InChIInChI=1S/C19H28N2O3S/c22-19(17-6-2-1-3-7-17)20-13-12-16-8-10-18(11-9-16)25(23,24)21-14-4-5-15-21/h8-11,17H,1-7,12-15H2,(H,20,22)
InChIKeyHQKLQDSBVKLTPP-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 30125962
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197596
(3S)-N-[2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9210573
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 22552986
1-(2,5-dichlorophenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197613
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 100801246
1-acetyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 108736634
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide
CID 46483108
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-[3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100652408

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide (CID 30148136) is N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide is O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1.
What is the InChIKey of N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide?
The InChIKey is HQKLQDSBVKLTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c22-19(17-6-2-1-3-7-17)20-13-12-16-8-10-18(11-9-16)25(23,24)21-14-4-5-15-21/h8-11,17H,1-7,12-15H2,(H,20,22).
What are the key properties of N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide?
N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide has a molecular weight of 364.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 30148136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).