N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide

C20H26N2O3S — CID 27665708

IUPACN-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccc1C
InChIInChI=1S/C20H26N2O3S/c1-5-22(6-2)26(24,25)19-14-18(13-12-16(19)3)20(23)21(4)15-17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3
InChIKeyDDYLMHQUYJRBSN-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.30
Rot. Bonds7

About N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide

N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide (PubChem CID 27665708) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
PubChem CID27665708
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccc1C
InChIInChI=1S/C20H26N2O3S/c1-5-22(6-2)26(24,25)19-14-18(13-12-16(19)3)20(23)21(4)15-17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3
InChIKeyDDYLMHQUYJRBSN-UHFFFAOYSA-N
XLogP3.30
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 26555928
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide
CID 55710404
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029
N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781
4-chloro-3-(diethylsulfamoyl)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 34940830
N-benzyl-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4042579
3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide
CID 78784360
N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 134006059
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55769177
3-(diethylsulfamoyl)-4-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55983350
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189513

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide?
The IUPAC name of N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide (CID 27665708) is N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide.
What is the SMILES notation for N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide?
The canonical SMILES for N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccc1C.
What is the InChIKey of N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide?
The InChIKey is DDYLMHQUYJRBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-22(6-2)26(24,25)19-14-18(13-12-16(19)3)20(23)21(4)15-17-10-8-7-9-11-17/h7-14H,5-6,15H2,1-4H3.
What are the key properties of N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide?
N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide has a molecular weight of 374.51 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 27665708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).