4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide

C24H32N2O5S — CID 46649958

IUPAC4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide
SMILESCCOc1ccc(C(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C(C)C)cc1OCC
InChIInChI=1S/C24H32N2O5S/c1-5-30-21-14-9-18(15-22(21)31-6-2)23(16(3)4)25-24(27)17-7-12-20(13-8-17)32(28,29)26-19-10-11-19/h7-9,12-16,19,23,26H,5-6,10-11H2,1-4H3,(H,25,27)
InChIKeyURWDRRKEESSIQW-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.05
Rot. Bonds11

About 4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide

4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide (PubChem CID 46649958) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide
PubChem CID46649958
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide
SMILESCCOc1ccc(C(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C(C)C)cc1OCC
InChIInChI=1S/C24H32N2O5S/c1-5-30-21-14-9-18(15-22(21)31-6-2)23(16(3)4)25-24(27)17-7-12-20(13-8-17)32(28,29)26-19-10-11-19/h7-9,12-16,19,23,26H,5-6,10-11H2,1-4H3,(H,25,27)
InChIKeyURWDRRKEESSIQW-UHFFFAOYSA-N
XLogP4.05
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]prop-2-enamide
CID 55687343
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methylsulfonylbenzamide
CID 55447557
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 119274977
4-[[1-(3,4-diethoxyphenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672384
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55347369
3-cyano-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide
CID 55447660
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
CID 46649898
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-(cyclopropylsulfamoyl)benzamide
CID 47067351
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 51263519
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60551019

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide (CID 46649958) is 4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide is CCOc1ccc(C(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C(C)C)cc1OCC.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide?
The InChIKey is URWDRRKEESSIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-5-30-21-14-9-18(15-22(21)31-6-2)23(16(3)4)25-24(27)17-7-12-20(13-8-17)32(28,29)26-19-10-11-19/h7-9,12-16,19,23,26H,5-6,10-11H2,1-4H3,(H,25,27).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide?
4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide has a molecular weight of 460.60 g/mol, XLogP of 4.05, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 46649958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).