3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide

C18H28N2O4S — CID 18159331

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C18H28N2O4S/c1-3-24-15-8-10-16(11-9-15)25(22,23)19-13-12-18(21)20-17-7-5-4-6-14(17)2/h8-11,14,17,19H,3-7,12-13H2,1-2H3,(H,20,21)
InChIKeyVRQVNWDRKGLZGI-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.45
Rot. Bonds8

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide (PubChem CID 18159331) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
PubChem CID18159331
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C18H28N2O4S/c1-3-24-15-8-10-16(11-9-15)25(22,23)19-13-12-18(21)20-17-7-5-4-6-14(17)2/h8-11,14,17,19H,3-7,12-13H2,1-2H3,(H,20,21)
InChIKeyVRQVNWDRKGLZGI-UHFFFAOYSA-N
XLogP2.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide;hydrochloride
CID 119611787
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] 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 8634039
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164413
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9164416
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3639542
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602500
N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide
CID 55913304
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3948557
3-[(4-methoxy-3-nitrophenyl)sulfonylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9265727

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide (CID 18159331) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2C)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide?
The InChIKey is VRQVNWDRKGLZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-3-24-15-8-10-16(11-9-15)25(22,23)19-13-12-18(21)20-17-7-5-4-6-14(17)2/h8-11,14,17,19H,3-7,12-13H2,1-2H3,(H,20,21).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide has a molecular weight of 368.50 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 18159331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).