1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea

C21H23N5O4S — CID 27165444

IUPAC1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(=O)Nc2ccccc2OC)nc1
InChIInChI=1S/C21H23N5O4S/c1-3-26(16-9-5-4-6-10-16)31(28,29)17-13-14-20(22-15-17)24-25-21(27)23-18-11-7-8-12-19(18)30-2/h4-15H,3H2,1-2H3,(H,22,24)(H2,23,25,27)
InChIKeyVYEHWDVQPCPEMI-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.45
Rot. Bonds8

About 1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea

1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea (PubChem CID 27165444) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is 1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea
PubChem CID27165444
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC Name1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(=O)Nc2ccccc2OC)nc1
InChIInChI=1S/C21H23N5O4S/c1-3-26(16-9-5-4-6-10-16)31(28,29)17-13-14-20(22-15-17)24-25-21(27)23-18-11-7-8-12-19(18)30-2/h4-15H,3H2,1-2H3,(H,22,24)(H2,23,25,27)
InChIKeyVYEHWDVQPCPEMI-UHFFFAOYSA-N
XLogP3.45
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-fluorophenyl)urea
CID 27165441
4-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 2084993
N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide
CID 5268347
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
CID 122060688
N,N-diethyl-6-(2-methoxyanilino)pyridine-3-sulfonamide
CID 5267780
1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea
CID 4553215
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 60570329

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea (CID 27165444) is 1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea is CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(=O)Nc2ccccc2OC)nc1.
What is the InChIKey of 1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea?
The InChIKey is VYEHWDVQPCPEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-3-26(16-9-5-4-6-10-16)31(28,29)17-13-14-20(22-15-17)24-25-21(27)23-18-11-7-8-12-19(18)30-2/h4-15H,3H2,1-2H3,(H,22,24)(H2,23,25,27).
What are the key properties of 1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea?
1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea has a molecular weight of 441.51 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 27165444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).