3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide

C19H22N2O4S — CID 109065110

IUPAC3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-4-21(5-2)19(23)16-7-6-8-18(13-16)26(24,25)20-17-11-9-15(10-12-17)14(3)22/h6-13,20H,4-5H2,1-3H3
InChIKeyDPJZRPUKUHHTGG-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.17
Rot. Bonds7

About 3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide

3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide (PubChem CID 109065110) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
PubChem CID109065110
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-4-21(5-2)19(23)16-7-6-8-18(13-16)26(24,25)20-17-11-9-15(10-12-17)14(3)22/h6-13,20H,4-5H2,1-3H3
InChIKeyDPJZRPUKUHHTGG-UHFFFAOYSA-N
XLogP3.17
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 26712749
N,N-diethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 109065077
3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065339
N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide
CID 86892169
3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide
CID 60555353
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 7938792
N,N-diethyl-3-(pentylsulfamoyl)benzamide
CID 109065070
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide (CID 109065110) is 3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide?
The InChIKey is DPJZRPUKUHHTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-21(5-2)19(23)16-7-6-8-18(13-16)26(24,25)20-17-11-9-15(10-12-17)14(3)22/h6-13,20H,4-5H2,1-3H3.
What are the key properties of 3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide?
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide has a molecular weight of 374.46 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide is sourced from PubChem (CID 109065110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).