1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea

C22H21N3O5S — CID 1295236

IUPAC1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C22H21N3O5S/c1-15(26)16-6-5-7-18(14-16)24-22(27)23-17-10-12-19(13-11-17)31(28,29)25-20-8-3-4-9-21(20)30-2/h3-14,25H,1-2H3,(H2,23,24,27)
InChIKeyTYYHXAKCCLFSJA-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.34
Rot. Bonds7

About 1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea

1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea (PubChem CID 1295236) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
PubChem CID1295236
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C22H21N3O5S/c1-15(26)16-6-5-7-18(14-16)24-22(27)23-17-10-12-19(13-11-17)31(28,29)25-20-8-3-4-9-21(20)30-2/h3-14,25H,1-2H3,(H2,23,24,27)
InChIKeyTYYHXAKCCLFSJA-UHFFFAOYSA-N
XLogP4.34
TPSA113.60 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 ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 30379129
1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 2954248
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea
CID 2958009
4-acetyl-N-[4-(2-methoxyanilino)phenyl]benzenesulfonamide
CID 2465106
1-(3-chlorophenyl)-3-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]urea
CID 17052588
3-[[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356397
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 4263456
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea (CID 1295236) is 1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea is COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea?
The InChIKey is TYYHXAKCCLFSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-15(26)16-6-5-7-18(14-16)24-22(27)23-17-10-12-19(13-11-17)31(28,29)25-20-8-3-4-9-21(20)30-2/h3-14,25H,1-2H3,(H2,23,24,27).
What are the key properties of 1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea?
1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea has a molecular weight of 439.49 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 1295236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).