N-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide

C18H27NO3S — CID 126803450

IUPACN-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)N[C@H](C)CC2CCCCC2)c1
InChIInChI=1S/C18H27NO3S/c1-3-23(21,22)17-11-7-10-16(13-17)18(20)19-14(2)12-15-8-5-4-6-9-15/h7,10-11,13-15H,3-6,8-9,12H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyXTCUJAGANXMGEA-CQSZACIVSA-N
MW337.49 g/mol
LogP3.57
Rot. Bonds6

About N-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide

N-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide (PubChem CID 126803450) has the molecular formula C18H27NO3S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide
PubChem CID126803450
Molecular FormulaC18H27NO3S
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC NameN-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)N[C@H](C)CC2CCCCC2)c1
InChIInChI=1S/C18H27NO3S/c1-3-23(21,22)17-11-7-10-16(13-17)18(20)19-14(2)12-15-8-5-4-6-9-15/h7,10-11,13-15H,3-6,8-9,12H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyXTCUJAGANXMGEA-CQSZACIVSA-N
XLogP3.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120534959
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N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
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3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051430
N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119590640
4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide
CID 86971398
N-butan-2-yl-3-[(2-cyclopentylacetyl)amino]benzamide
CID 54786138
3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide
CID 152976203
N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 120505672
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-methylbutanoic acid
CID 9291692
2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223890
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CID 42427444

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide?
The IUPAC name of N-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide (CID 126803450) is N-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide.
What is the SMILES notation for N-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide?
The canonical SMILES for N-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide is CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)CC2CCCCC2)c1.
What is the InChIKey of N-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide?
The InChIKey is XTCUJAGANXMGEA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-3-23(21,22)17-11-7-10-16(13-17)18(20)19-14(2)12-15-8-5-4-6-9-15/h7,10-11,13-15H,3-6,8-9,12H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide?
N-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide has a molecular weight of 337.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-cyclohexylpropan-2-yl]-3-ethylsulfonylbenzamide is sourced from PubChem (CID 126803450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).