4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide

C18H27NO3S — CID 100642135

IUPAC4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NCCc2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C18H27NO3S/c1-3-14-4-8-16(9-5-14)18(20)19-13-12-15-6-10-17(11-7-15)23(2,21)22/h6-7,10-11,14,16H,3-5,8-9,12-13H2,1-2H3,(H,19,20)
InChIKeyPPMUWGMDHSXNKV-UHFFFAOYSA-N
MW337.48 g/mol
LogP2.97
Rot. Bonds6

About 4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide

4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 100642135) has the molecular formula C18H27NO3S and a molecular weight of 337.48 g/mol. Its IUPAC name is 4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID100642135
Molecular FormulaC18H27NO3S
Molecular Weight337.48 g/mol
Exact Mass337.17
IUPAC Name4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NCCc2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C18H27NO3S/c1-3-14-4-8-16(9-5-14)18(20)19-13-12-15-6-10-17(11-7-15)23(2,21)22/h6-7,10-11,14,16H,3-5,8-9,12-13H2,1-2H3,(H,19,20)
InChIKeyPPMUWGMDHSXNKV-UHFFFAOYSA-N
XLogP2.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 30125962
4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673281
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide
CID 110790666
N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide
CID 167018688
3-amino-N-[2-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119760925
N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
CID 30148136
2-chloro-2,2-difluoro-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 91661460
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
1-[2-(4-methylsulfonylphenyl)ethyl]-3-prop-2-ynylurea
CID 71994484
1-[2-(4-methylsulfonylphenyl)ethyl]-2-propylguanidine;hydroiodide
CID 111815183

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide (CID 100642135) is 4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide is CCC1CCC(C(=O)NCCc2ccc(S(C)(=O)=O)cc2)CC1.
What is the InChIKey of 4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is PPMUWGMDHSXNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-3-14-4-8-16(9-5-14)18(20)19-13-12-15-6-10-17(11-7-15)23(2,21)22/h6-7,10-11,14,16H,3-5,8-9,12-13H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide?
4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 337.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100642135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).