1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea

C17H21N3O4S — CID 4803273

IUPAC1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C17H21N3O4S/c1-3-11-18-17(21)19-14-5-4-6-16(12-14)25(22,23)20-13-7-9-15(24-2)10-8-13/h4-10,12,20H,3,11H2,1-2H3,(H2,18,19,21)
InChIKeyRHQOQWDIIYPRGU-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.03
Rot. Bonds7

About 1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea

1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea (PubChem CID 4803273) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
PubChem CID4803273
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C17H21N3O4S/c1-3-11-18-17(21)19-14-5-4-6-16(12-14)25(22,23)20-13-7-9-15(24-2)10-8-13/h4-10,12,20H,3,11H2,1-2H3,(H2,18,19,21)
InChIKeyRHQOQWDIIYPRGU-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 7908123
1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
CID 4803245
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 18168699
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3,3-dimethylbutanamide
CID 38765461
1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea
CID 3500250
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(phenylsulfamoyl)phenyl]thiourea
CID 43075967
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
2-cyclopentyl-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 9414196
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222523
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 24639819
1-(2-chloroethyl)-3-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]urea
CID 2327322

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea?
The IUPAC name of 1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea (CID 4803273) is 1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea.
What is the SMILES notation for 1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea?
The canonical SMILES for 1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea is CCCNC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea?
The InChIKey is RHQOQWDIIYPRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-3-11-18-17(21)19-14-5-4-6-16(12-14)25(22,23)20-13-7-9-15(24-2)10-8-13/h4-10,12,20H,3,11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea?
1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea has a molecular weight of 363.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea is sourced from PubChem (CID 4803273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).