3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea

C23H23N3O5S — CID 3512037

IUPAC3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea
SMILESCCOc1ccccc1NC(=O)NC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23N3O5S/c1-3-31-21-12-8-7-11-20(21)24-22(27)25-23(28)26(18-9-5-4-6-10-18)32(29,30)19-15-13-17(2)14-16-19/h4-16H,3H2,1-2H3,(H2,24,25,27,28)
InChIKeyKVTFXMMLOFDCAG-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.53
Rot. Bonds6

About 3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea

3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea (PubChem CID 3512037) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea
PubChem CID3512037
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea
SMILESCCOc1ccccc1NC(=O)NC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23N3O5S/c1-3-31-21-12-8-7-11-20(21)24-22(27)25-23(28)26(18-9-5-4-6-10-18)32(29,30)19-15-13-17(2)14-16-19/h4-16H,3H2,1-2H3,(H2,24,25,27,28)
InChIKeyKVTFXMMLOFDCAG-UHFFFAOYSA-N
XLogP4.53
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1098081
N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095185
1-(2-ethoxyphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 2209483
2-[N-(benzenesulfonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 1095152
N-(2-ethoxyphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998705
N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2950042
N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 1372189
N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 1349588
2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
CID 19217917
3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea
CID 108991523
N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 94291772
N-(2-ethoxyphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 2196369

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea?
The IUPAC name of 3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea (CID 3512037) is 3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea.
What is the SMILES notation for 3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea?
The canonical SMILES for 3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea is CCOc1ccccc1NC(=O)NC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea?
The InChIKey is KVTFXMMLOFDCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-3-31-21-12-8-7-11-20(21)24-22(27)25-23(28)26(18-9-5-4-6-10-18)32(29,30)19-15-13-17(2)14-16-19/h4-16H,3H2,1-2H3,(H2,24,25,27,28).
What are the key properties of 3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea?
3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea has a molecular weight of 453.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-phenylurea is sourced from PubChem (CID 3512037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).