5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide

C22H30N2O4S — CID 39912911

IUPAC5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1
InChIInChI=1S/C22H30N2O4S/c1-6-17-9-11-18(12-10-17)16-23(4)22(25)20-15-19(13-14-21(20)28-5)29(26,27)24(7-2)8-3/h9-15H,6-8,16H2,1-5H3
InChIKeyLKDJAYOHSWKMAV-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.56
Rot. Bonds9

About 5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide

5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide (PubChem CID 39912911) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide
PubChem CID39912911
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1
InChIInChI=1S/C22H30N2O4S/c1-6-17-9-11-18(12-10-17)16-23(4)22(25)20-15-19(13-14-21(20)28-5)29(26,27)24(7-2)8-3/h9-15H,6-8,16H2,1-5H3
InChIKeyLKDJAYOHSWKMAV-UHFFFAOYSA-N
XLogP3.56
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 7601402
N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 39914710
N-benzyl-5-(ethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 19257900
methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate
CID 55650630
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 34976198
2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide
CID 18115072
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 55373207
N-ethyl-2-methoxy-5-[methyl-[(4-methylphenyl)methyl]sulfamoyl]benzamide
CID 92683523
2-bromo-N-[(4-ethylphenyl)methyl]-N-methyl-5-sulfamoylbenzamide
CID 34889810
4-(diethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 16574101
5-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 24817034

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide (CID 39912911) is 5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide is CCc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide?
The InChIKey is LKDJAYOHSWKMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-6-17-9-11-18(12-10-17)16-23(4)22(25)20-15-19(13-14-21(20)28-5)29(26,27)24(7-2)8-3/h9-15H,6-8,16H2,1-5H3.
What are the key properties of 5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide?
5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide has a molecular weight of 418.56 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 39912911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).