N-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide

C20H30FN3O3S — CID 46381900

IUPACN-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(CCNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN3O3S/c21-17-6-8-19(9-7-17)28(26,27)22-13-10-16-11-14-24(15-12-16)20(25)23-18-4-2-1-3-5-18/h6-9,16,18,22H,1-5,10-15H2,(H,23,25)
InChIKeyKSTWZQXSEVCNIU-UHFFFAOYSA-N
MW411.54 g/mol
LogP3.25
Rot. Bonds6

About N-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide (PubChem CID 46381900) has the molecular formula C20H30FN3O3S and a molecular weight of 411.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
PubChem CID46381900
Molecular FormulaC20H30FN3O3S
Molecular Weight411.54 g/mol
Exact Mass411.20
IUPAC NameN-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(CCNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN3O3S/c21-17-6-8-19(9-7-17)28(26,27)22-13-10-16-11-14-24(15-12-16)20(25)23-18-4-2-1-3-5-18/h6-9,16,18,22H,1-5,10-15H2,(H,23,25)
InChIKeyKSTWZQXSEVCNIU-UHFFFAOYSA-N
XLogP3.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
CID 118728609
1-[1-[4-[Benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-3-methyl-urea
CID 478439
N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
Benzenesulfonamide, N-[4-[4-[ethyl[(methylamino)carbonyl]amino]-1-piperidinyl]-2-phenylbutyl]-N-methyl-
CID 486608
1-{2-[Cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetyl}-piperidine-4-carboxylic acid amide
CID 1072980
N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 2059107
Cyclohexanecarboxylic acid [1-(4-fluoro-benzenesulfonyl)-piperidin-4-yl]-amide
CID 3218790
9-(benzenesulfonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3233947
N-cycloheptyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26516405
7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3233877
1-Cyclohexyl-3-(1-phenylmethanesulfonyl-piperidin-4-yl)-urea
CID 645563
N-(cyclohexylmethyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 4877609

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide (CID 46381900) is N-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(CCNS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
The InChIKey is KSTWZQXSEVCNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O3S/c21-17-6-8-19(9-7-17)28(26,27)22-13-10-16-11-14-24(15-12-16)20(25)23-18-4-2-1-3-5-18/h6-9,16,18,22H,1-5,10-15H2,(H,23,25).
What are the key properties of N-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide has a molecular weight of 411.54 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-[(4-fluorophenyl)sulfonylamino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).