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

C18H28N2O4S — CID 2539107

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-3-24-16-8-10-17(11-9-16)25(22,23)19-13-12-18(21)20-15-6-4-14(2)5-7-15/h8-11,14-15,19H,3-7,12-13H2,1-2H3,(H,20,21)
InChIKeyHBIIWZWLLJZQTG-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.45
Rot. Bonds8

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

3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide (PubChem CID 2539107) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
PubChem CID2539107
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-3-24-16-8-10-17(11-9-16)25(22,23)19-13-12-18(21)20-15-6-4-14(2)5-7-15/h8-11,14-15,19H,3-7,12-13H2,1-2H3,(H,20,21)
InChIKeyHBIIWZWLLJZQTG-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

2-{[4-(cyclohexylmethoxy)benzene](2-methylpropyl)sulfonamido}-N-hydroxyacetamide
CID 10524926
(S)-3-(4-benzyloxybenzenesulfonylamino)-N-hydroxy-2-piperidin-1-ylpropionamide
CID 49854306
N-{[1-(cyclopentylcarbonyl)-3-piperidinyl]methyl}-4-methoxybenzenesulfonamide
CID 16189375
1-N'-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]cyclopropane-1,1-dicarboxamide
CID 24878822
(2S)-2-hydroxy-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-3-methylbutanamide
CID 44582013
1-N'-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]cyclopropane-1,1-dicarboxamide
CID 44582026
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
1-(4-Methoxy-benzenesulfonyl)-piperidine-3-carboxylic acid cyclohexylamide
CID 645701
N-Hydroxy-3-[(phenethyl)-(4-methoxybenzenesulfonyl)-amino]-propionamide
CID 18678912
3-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 23553786
(2R,3S)-1-(4-Benzyloxy-benzenesulfonyl)-3-methyl-piperazine-2-carboxylic acid hydroxyamide
CID 44339402
Tert-butyl (6-(4-sulfamoylphenoxy)hexyl)carbamate
CID 86692718

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide (CID 2539107) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCC(C)CC2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide?
The InChIKey is HBIIWZWLLJZQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-3-24-16-8-10-17(11-9-16)25(22,23)19-13-12-18(21)20-15-6-4-14(2)5-7-15/h8-11,14-15,19H,3-7,12-13H2,1-2H3,(H,20,21).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-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-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 2539107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).