1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea

C17H21N3O4S — CID 32545082

IUPAC1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
SMILESCOc1ccccc1NC(=O)NCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21N3O4S/c1-13-7-9-14(10-8-13)25(22,23)19-12-11-18-17(21)20-15-5-3-4-6-16(15)24-2/h3-10,19H,11-12H2,1-2H3,(H2,18,20,21)
InChIKeyFMKCIXMBCOPRRZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.10
Rot. Bonds7

About 1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea

1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea (PubChem CID 32545082) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
PubChem CID32545082
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
SMILESCOc1ccccc1NC(=O)NCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21N3O4S/c1-13-7-9-14(10-8-13)25(22,23)19-12-11-18-17(21)20-15-5-3-4-6-16(15)24-2/h3-10,19H,11-12H2,1-2H3,(H2,18,20,21)
InChIKeyFMKCIXMBCOPRRZ-UHFFFAOYSA-N
XLogP2.10
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602582
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925115
1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea
CID 17379791
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110754998
1-(2-methoxyphenyl)-3-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 9439467
1-(2-azidoethyl)-3-(2-methoxyphenyl)urea
CID 61342696
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
CID 55597814
N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide
CID 5039717

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea (CID 32545082) is 1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea is COc1ccccc1NC(=O)NCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea?
The InChIKey is FMKCIXMBCOPRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-13-7-9-14(10-8-13)25(22,23)19-12-11-18-17(21)20-15-5-3-4-6-16(15)24-2/h3-10,19H,11-12H2,1-2H3,(H2,18,20,21).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea?
1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea has a molecular weight of 363.44 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea is sourced from PubChem (CID 32545082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).