N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide

C19H28N2O3S — CID 9273061

IUPACN-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCCC(=O)N[C@@H]2CCCC[C@H]2C)cc1
InChIInChI=1S/C19H28N2O3S/c1-15-7-9-17(10-8-15)12-14-25(23,24)20-13-11-19(22)21-18-6-4-3-5-16(18)2/h7-10,12,14,16,18,20H,3-6,11,13H2,1-2H3,(H,21,22)/b14-12+/t16-,18-/m1/s1
InChIKeyHFQJEJWGJRHLHK-UZICZHQRSA-N
MW364.51 g/mol
LogP2.97
Rot. Bonds7

About N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide

N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide (PubChem CID 9273061) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
PubChem CID9273061
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCCC(=O)N[C@@H]2CCCC[C@H]2C)cc1
InChIInChI=1S/C19H28N2O3S/c1-15-7-9-17(10-8-15)12-14-25(23,24)20-13-11-19(22)21-18-6-4-3-5-16(18)2/h7-10,12,14,16,18,20H,3-6,11,13H2,1-2H3,(H,21,22)/b14-12+/t16-,18-/m1/s1
InChIKeyHFQJEJWGJRHLHK-UZICZHQRSA-N
XLogP2.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide
CID 26534933
3-[(4-chlorophenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 15992422
3-[(4-bromophenyl)sulfonylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 9403540
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602500
N-methyl-4-[3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoylamino]benzamide
CID 9158616
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate
CID 9066476
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 18159331
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
CID 8849280
N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide
CID 76866069
[2-(4-methylanilino)-2-oxoethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate
CID 9066471
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
CID 894002

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide (CID 9273061) is N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide is Cc1ccc(/C=C/S(=O)(=O)NCCC(=O)N[C@@H]2CCCC[C@H]2C)cc1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide?
The InChIKey is HFQJEJWGJRHLHK-UZICZHQRSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-7-9-17(10-8-15)12-14-25(23,24)20-13-11-19(22)21-18-6-4-3-5-16(18)2/h7-10,12,14,16,18,20H,3-6,11,13H2,1-2H3,(H,21,22)/b14-12+/t16-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide?
N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide has a molecular weight of 364.51 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 9273061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).