1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea

C20H27N3O5S — CID 4799139

IUPAC1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea
SMILESCCCCNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1OC
InChIInChI=1S/C20H27N3O5S/c1-4-6-13-21-20(24)22-18-14-17(11-12-19(18)27-3)29(25,26)23-15-7-9-16(10-8-15)28-5-2/h7-12,14,23H,4-6,13H2,1-3H3,(H2,21,22,24)
InChIKeyNOYOQZDFQCRFLA-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.82
Rot. Bonds10

About 1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea

1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea (PubChem CID 4799139) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea.

Molecular Properties

Compound Name1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea
PubChem CID4799139
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea
SMILESCCCCNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1OC
InChIInChI=1S/C20H27N3O5S/c1-4-6-13-21-20(24)22-18-14-17(11-12-19(18)27-3)29(25,26)23-15-7-9-16(10-8-15)28-5-2/h7-12,14,23H,4-6,13H2,1-3H3,(H2,21,22,24)
InChIKeyNOYOQZDFQCRFLA-UHFFFAOYSA-N
XLogP3.82
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
CID 4803245
1-(4-ethoxyphenyl)-3-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]thiourea
CID 25039303
N-[5-[[2-(4-ethoxyphenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 17426332
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide
CID 2330567
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 4850822
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
CID 4803273
N-[2-methoxy-5-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
CID 26951375
N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42992560

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea?
The IUPAC name of 1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea (CID 4799139) is 1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea.
What is the SMILES notation for 1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea?
The canonical SMILES for 1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea is CCCCNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1OC.
What is the InChIKey of 1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea?
The InChIKey is NOYOQZDFQCRFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-4-6-13-21-20(24)22-18-14-17(11-12-19(18)27-3)29(25,26)23-15-7-9-16(10-8-15)28-5-2/h7-12,14,23H,4-6,13H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea?
1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea has a molecular weight of 421.52 g/mol, XLogP of 3.82, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[5-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]urea is sourced from PubChem (CID 4799139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).