1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea

C17H20ClN3O4S — CID 55699083

IUPAC1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)NC(C)c2ccccc2Cl)cc1
InChIInChI=1S/C17H20ClN3O4S/c1-12(15-6-4-5-7-16(15)18)19-17(22)20-13-8-10-14(11-9-13)26(23,24)21(2)25-3/h4-12H,1-3H3,(H2,19,20,22)
InChIKeyMWQQAQCTEASUOL-UHFFFAOYSA-N
MW397.88 g/mol
LogP3.40
Rot. Bonds6

About 1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea

1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea (PubChem CID 55699083) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea
PubChem CID55699083
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)NC(C)c2ccccc2Cl)cc1
InChIInChI=1S/C17H20ClN3O4S/c1-12(15-6-4-5-7-16(15)18)19-17(22)20-13-8-10-14(11-9-13)26(23,24)21(2)25-3/h4-12H,1-3H3,(H2,19,20,22)
InChIKeyMWQQAQCTEASUOL-UHFFFAOYSA-N
XLogP3.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 55473706
1-(1,3-benzodioxol-5-yl)-3-[1-(2-chlorophenyl)ethyl]urea
CID 17182509
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide
CID 46823749
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-[3-(difluoromethyl)-4-methylsulfonylphenyl]urea
CID 97259057
4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide
CID 96502326
[1-[4-[[4-[[(1S)-1-(2,3-dichlorophenyl)ethyl]carbamoylamino]phenyl]sulfonyl-methylamino]phenyl]-2-methylpropan-2-yl]azanium
CID 140810590
3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea
CID 51118606
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55389585
2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 55389617
1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 43298111
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea (CID 55699083) is 1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea is CON(C)S(=O)(=O)c1ccc(NC(=O)NC(C)c2ccccc2Cl)cc1.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea?
The InChIKey is MWQQAQCTEASUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-12(15-6-4-5-7-16(15)18)19-17(22)20-13-8-10-14(11-9-13)26(23,24)21(2)25-3/h4-12H,1-3H3,(H2,19,20,22).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea?
1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea has a molecular weight of 397.88 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 55699083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).