3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea

C18H21N3O5S — CID 3270429

IUPAC3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea
SMILESCCOc1ccc(NC(=O)NC(=O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21N3O5S/c1-4-26-15-9-7-14(8-10-15)19-17(22)20-18(23)21(3)27(24,25)16-11-5-13(2)6-12-16/h5-12H,4H2,1-3H3,(H2,19,20,22,23)
InChIKeyIZUKFUWGPHREFU-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.96
Rot. Bonds5

About 3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea

3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea (PubChem CID 3270429) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea
PubChem CID3270429
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea
SMILESCCOc1ccc(NC(=O)NC(=O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21N3O5S/c1-4-26-15-9-7-14(8-10-15)19-17(22)20-18(23)21(3)27(24,25)16-11-5-13(2)6-12-16/h5-12H,4H2,1-3H3,(H2,19,20,22,23)
InChIKeyIZUKFUWGPHREFU-UHFFFAOYSA-N
XLogP2.96
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea?
The IUPAC name of 3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea (CID 3270429) is 3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea is CCOc1ccc(NC(=O)NC(=O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea?
The InChIKey is IZUKFUWGPHREFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-4-26-15-9-7-14(8-10-15)19-17(22)20-18(23)21(3)27(24,25)16-11-5-13(2)6-12-16/h5-12H,4H2,1-3H3,(H2,19,20,22,23).
What are the key properties of 3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea?
3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea has a molecular weight of 391.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)carbamoyl]-1-methyl-1-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 3270429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).