N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide

C18H27NO3S — CID 134984235

IUPACN-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide
SMILESCCC(=O)[C@@]1(CC)CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H27NO3S/c1-4-17(20)18(5-2)13-7-6-8-16(18)19-23(21,22)15-11-9-14(3)10-12-15/h9-12,16,19H,4-8,13H2,1-3H3/t16-,18-/m0/s1
InChIKeyRTDDTQYVFNAMTC-WMZOPIPTSA-N
MW337.48 g/mol
LogP3.59
Rot. Bonds6

About N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide

N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 134984235) has the molecular formula C18H27NO3S and a molecular weight of 337.48 g/mol. Its IUPAC name is N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide
PubChem CID134984235
Molecular FormulaC18H27NO3S
Molecular Weight337.48 g/mol
Exact Mass337.17
IUPAC NameN-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide
SMILESCCC(=O)[C@@]1(CC)CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H27NO3S/c1-4-17(20)18(5-2)13-7-6-8-16(18)19-23(21,22)15-11-9-14(3)10-12-15/h9-12,16,19H,4-8,13H2,1-3H3/t16-,18-/m0/s1
InChIKeyRTDDTQYVFNAMTC-WMZOPIPTSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide
CID 134926580
4-methyl-N-[(3R,4R)-1-oxaspiro[2.5]octan-4-yl]benzenesulfonamide
CID 11845877
4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide
CID 15529692
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide
CID 102363883
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea
CID 134115577
N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide
CID 15529713
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide (CID 134984235) is N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide is CCC(=O)[C@@]1(CC)CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is RTDDTQYVFNAMTC-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-4-17(20)18(5-2)13-7-6-8-16(18)19-23(21,22)15-11-9-14(3)10-12-15/h9-12,16,19H,4-8,13H2,1-3H3/t16-,18-/m0/s1.
What are the key properties of N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide?
N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide has a molecular weight of 337.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134984235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).