3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea

C16H19ClN2O3S — CID 54356698

IUPAC3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NS(=O)(=O)C=C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O3S/c1-4-10-19(11-5-2)16(20)18-23(21,22)12-13(3)14-6-8-15(17)9-7-14/h4-9,12H,1-2,10-11H2,3H3,(H,18,20)
InChIKeyUJPGNIFBTCQLOA-UHFFFAOYSA-N
MW354.86 g/mol
LogP3.41
Rot. Bonds7

About 3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea

3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea (PubChem CID 54356698) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea
PubChem CID54356698
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC Name3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NS(=O)(=O)C=C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O3S/c1-4-10-19(11-5-2)16(20)18-23(21,22)12-13(3)14-6-8-15(17)9-7-14/h4-9,12H,1-2,10-11H2,3H3,(H,18,20)
InChIKeyUJPGNIFBTCQLOA-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea (CID 54356698) is 3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)NS(=O)(=O)C=C(C)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea?
The InChIKey is UJPGNIFBTCQLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-4-10-19(11-5-2)16(20)18-23(21,22)12-13(3)14-6-8-15(17)9-7-14/h4-9,12H,1-2,10-11H2,3H3,(H,18,20).
What are the key properties of 3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea?
3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea has a molecular weight of 354.86 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)prop-1-enylsulfonyl]-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 54356698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).