3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide

C22H30N2O3S — CID 26555928

IUPAC3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H30N2O3S/c1-6-18-10-12-19(13-11-18)16-23(5)22(25)20-14-9-17(4)21(15-20)28(26,27)24(7-2)8-3/h9-15H,6-8,16H2,1-5H3
InChIKeyGOERYAWXAYKPCF-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.86
Rot. Bonds8

About 3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide

3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide (PubChem CID 26555928) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
PubChem CID26555928
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H30N2O3S/c1-6-18-10-12-19(13-11-18)16-23(5)22(25)20-14-9-17(4)21(15-20)28(26,27)24(7-2)8-3/h9-15H,6-8,16H2,1-5H3
InChIKeyGOERYAWXAYKPCF-UHFFFAOYSA-N
XLogP3.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27665708
3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide
CID 55710404
3-bromo-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 81458308
3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide
CID 78784360
N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 134006059
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 34940830
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189513
5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65372594
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99956878
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide (CID 26555928) is 3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide is CCc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide?
The InChIKey is GOERYAWXAYKPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-6-18-10-12-19(13-11-18)16-23(5)22(25)20-14-9-17(4)21(15-20)28(26,27)24(7-2)8-3/h9-15H,6-8,16H2,1-5H3.
What are the key properties of 3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide?
3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide has a molecular weight of 402.56 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 26555928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).