3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide

C21H26N2O5S — CID 55976665

IUPAC3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-18-10-5-15(6-11-18)4-3-13-22-21(24)16-7-12-19(28-2)20(14-16)29(25,26)23-17-8-9-17/h5-7,10-12,14,17,23H,3-4,8-9,13H2,1-2H3,(H,22,24)
InChIKeyIGIICHDLINSLPV-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.51
Rot. Bonds10

About 3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide

3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide (PubChem CID 55976665) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide
PubChem CID55976665
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1
InChIInChI=1S/C21H26N2O5S/c1-27-18-10-5-15(6-11-18)4-3-13-22-21(24)16-7-12-19(28-2)20(14-16)29(25,26)23-17-8-9-17/h5-7,10-12,14,17,23H,3-4,8-9,13H2,1-2H3,(H,22,24)
InChIKeyIGIICHDLINSLPV-UHFFFAOYSA-N
XLogP2.51
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548348
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide
CID 56558795
N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 46591175
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide
CID 18155370

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide (CID 55976665) is 3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide is COc1ccc(CCCNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is IGIICHDLINSLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-27-18-10-5-15(6-11-18)4-3-13-22-21(24)16-7-12-19(28-2)20(14-16)29(25,26)23-17-8-9-17/h5-7,10-12,14,17,23H,3-4,8-9,13H2,1-2H3,(H,22,24).
What are the key properties of 3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide?
3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 418.52 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 55976665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).