3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea

C17H29N3O4S — CID 51118606

IUPAC3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C17H29N3O4S/c1-13(2)11-20(12-14(3)4)17(21)18-15-7-9-16(10-8-15)25(22,23)19(5)24-6/h7-10,13-14H,11-12H2,1-6H3,(H,18,21)
InChIKeyIICZFHQITGXFIV-UHFFFAOYSA-N
MW371.50 g/mol
LogP3.01
Rot. Bonds8

About 3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea

3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea (PubChem CID 51118606) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is 3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea
PubChem CID51118606
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC Name3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C17H29N3O4S/c1-13(2)11-20(12-14(3)4)17(21)18-15-7-9-16(10-8-15)25(22,23)19(5)24-6/h7-10,13-14H,11-12H2,1-6H3,(H,18,21)
InChIKeyIICZFHQITGXFIV-UHFFFAOYSA-N
XLogP3.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide
CID 46823749
methyl 3-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]-(2-methylpropyl)amino]propanoate
CID 55819970
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55389585
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943877
1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea
CID 55699083
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide
CID 63766968
1,1-bis(2-methylpropyl)-3-(4-pyrrol-1-ylphenyl)urea
CID 108886840
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55389586
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2,4-dimethylbenzamide
CID 60601161
3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 37007579

Frequently Asked Questions

What is the IUPAC name of 3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea?
The IUPAC name of 3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea (CID 51118606) is 3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea.
What is the SMILES notation for 3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea?
The canonical SMILES for 3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea is CON(C)S(=O)(=O)c1ccc(NC(=O)N(CC(C)C)CC(C)C)cc1.
What is the InChIKey of 3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea?
The InChIKey is IICZFHQITGXFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-13(2)11-20(12-14(3)4)17(21)18-15-7-9-16(10-8-15)25(22,23)19(5)24-6/h7-10,13-14H,11-12H2,1-6H3,(H,18,21).
What are the key properties of 3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea?
3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea has a molecular weight of 371.50 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea is sourced from PubChem (CID 51118606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).