N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide

C24H30N2O6S — CID 34197541

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C24H30N2O6S/c1-16-5-3-4-6-19(16)26-33(28,29)23-14-18(8-10-21(23)30-2)24(27)25-12-11-17-7-9-20-22(13-17)32-15-31-20/h7-10,13-14,16,19,26H,3-6,11-12,15H2,1-2H3,(H,25,27)/t16-,19-/m1/s1
InChIKeyJJEXPPZTSJPABW-VQIMIIECSA-N
MW474.58 g/mol
LogP3.25
Rot. Bonds8

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide (PubChem CID 34197541) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
PubChem CID34197541
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C24H30N2O6S/c1-16-5-3-4-6-19(16)26-33(28,29)23-14-18(8-10-21(23)30-2)24(27)25-12-11-17-7-9-20-22(13-17)32-15-31-20/h7-10,13-14,16,19,26H,3-6,11-12,15H2,1-2H3,(H,25,27)/t16-,19-/m1/s1
InChIKeyJJEXPPZTSJPABW-VQIMIIECSA-N
XLogP3.25
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 18159614
4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 30282957
4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
CID 2466564
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548348
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42997848
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110601253
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 42997457
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 16832675
cyanomethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 46607885
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113095660
N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]-1,3-benzodioxole-5-carboxamide
CID 4055032
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 2565157

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide (CID 34197541) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide is COc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide?
The InChIKey is JJEXPPZTSJPABW-VQIMIIECSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-16-5-3-4-6-19(16)26-33(28,29)23-14-18(8-10-21(23)30-2)24(27)25-12-11-17-7-9-20-22(13-17)32-15-31-20/h7-10,13-14,16,19,26H,3-6,11-12,15H2,1-2H3,(H,25,27)/t16-,19-/m1/s1.
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide has a molecular weight of 474.58 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]benzamide is sourced from PubChem (CID 34197541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).