3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide

C22H21N3O5S — CID 154762615

IUPAC3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)c1
InChIInChI=1S/C22H21N3O5S/c1-2-30-19-7-3-5-16(13-19)22(27)24-17-11-9-15(10-12-17)21(26)25-18-6-4-8-20(14-18)31(23,28)29/h3-14H,2H2,1H3,(H,24,27)(H,25,26)(H2,23,28,29)
InChIKeyJDYWPGMDOAJTEG-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.24
Rot. Bonds7

About 3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide

3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide (PubChem CID 154762615) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is 3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide
PubChem CID154762615
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)c1
InChIInChI=1S/C22H21N3O5S/c1-2-30-19-7-3-5-16(13-19)22(27)24-17-11-9-15(10-12-17)21(26)25-18-6-4-8-20(14-18)31(23,28)29/h3-14H,2H2,1H3,(H,24,27)(H,25,26)(H2,23,28,29)
InChIKeyJDYWPGMDOAJTEG-UHFFFAOYSA-N
XLogP3.24
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639289
N-[4-(diethylsulfamoyl)phenyl]-3-ethoxybenzamide
CID 4957423
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
molecular hydrogen;3-phenoxy-N-(3-sulfamoylphenyl)benzamide
CID 158388567
3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
CID 4954916
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
tert-butyl N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9068676
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide (CID 154762615) is 3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide is CCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)c1.
What is the InChIKey of 3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is JDYWPGMDOAJTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-2-30-19-7-3-5-16(13-19)22(27)24-17-11-9-15(10-12-17)21(26)25-18-6-4-8-20(14-18)31(23,28)29/h3-14H,2H2,1H3,(H,24,27)(H,25,26)(H2,23,28,29).
What are the key properties of 3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide?
3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 439.49 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 154762615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).