3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide

C22H31N3O6S2 — CID 4003550

IUPAC3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)c1
InChIInChI=1S/C22H31N3O6S2/c1-6-24(7-2)32(27,28)18-12-10-11-17(15-18)22(26)23-20-16-19(13-14-21(20)31-5)33(29,30)25(8-3)9-4/h10-16H,6-9H2,1-5H3,(H,23,26)
InChIKeyGEVHIOOVHOPZRZ-UHFFFAOYSA-N
MW497.64 g/mol
LogP3.01
Rot. Bonds11

About 3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide

3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide (PubChem CID 4003550) has the molecular formula C22H31N3O6S2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
PubChem CID4003550
Molecular FormulaC22H31N3O6S2
Molecular Weight497.64 g/mol
Exact Mass497.17
IUPAC Name3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)c1
InChIInChI=1S/C22H31N3O6S2/c1-6-24(7-2)32(27,28)18-12-10-11-17(15-18)22(26)23-20-16-19(13-14-21(20)31-5)33(29,30)25(8-3)9-4/h10-16H,6-9H2,1-5H3,(H,23,26)
InChIKeyGEVHIOOVHOPZRZ-UHFFFAOYSA-N
XLogP3.01
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 52707757
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 17226790
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dimethylbenzamide
CID 9467095
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide (CID 4003550) is 3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide?
The InChIKey is GEVHIOOVHOPZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6S2/c1-6-24(7-2)32(27,28)18-12-10-11-17(15-18)22(26)23-20-16-19(13-14-21(20)31-5)33(29,30)25(8-3)9-4/h10-16H,6-9H2,1-5H3,(H,23,26).
What are the key properties of 3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide?
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide has a molecular weight of 497.64 g/mol, XLogP of 3.01, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide is sourced from PubChem (CID 4003550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).