4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide

C18H26N2O4S — CID 30282957

IUPAC4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1
InChIInChI=1S/C18H26N2O4S/c1-4-11-19-18(21)14-9-10-16(24-3)17(12-14)25(22,23)20-15-8-6-5-7-13(15)2/h4,9-10,12-13,15,20H,1,5-8,11H2,2-3H3,(H,19,21)/t13-,15-/m0/s1
InChIKeyUZXTZNIHRAFQRU-ZFWWWQNUSA-N
MW366.48 g/mol
LogP2.47
Rot. Bonds7

About 4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide

4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 30282957) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
PubChem CID30282957
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1
InChIInChI=1S/C18H26N2O4S/c1-4-11-19-18(21)14-9-10-16(24-3)17(12-14)25(22,23)20-15-8-6-5-7-13(15)2/h4,9-10,12-13,15,20H,1,5-8,11H2,2-3H3,(H,19,21)/t13-,15-/m0/s1
InChIKeyUZXTZNIHRAFQRU-ZFWWWQNUSA-N
XLogP2.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
CID 2466564
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42997848
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442145
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 42997457
cyanomethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 46607885
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 34197541
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 16552462
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 2565157
2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 46522904
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46644366
5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116300

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide (CID 30282957) is 4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1.
What is the InChIKey of 4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is UZXTZNIHRAFQRU-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-4-11-19-18(21)14-9-10-16(24-3)17(12-14)25(22,23)20-15-8-6-5-7-13(15)2/h4,9-10,12-13,15,20H,1,5-8,11H2,2-3H3,(H,19,21)/t13-,15-/m0/s1.
What are the key properties of 4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide?
4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 366.48 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 30282957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).