1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea

C17H22N2O3S2 — CID 51124447

IUPAC1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
SMILESCC(Cc1ccsc1)NC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O3S2/c1-12(10-14-8-9-23-11-14)18-17(20)19-13(2)15-4-6-16(7-5-15)24(3,21)22/h4-9,11-13H,10H2,1-3H3,(H2,18,19,20)
InChIKeyHVONWHDFJJBWRN-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.14
Rot. Bonds6

About 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea

1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea (PubChem CID 51124447) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
PubChem CID51124447
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC Name1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
SMILESCC(Cc1ccsc1)NC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O3S2/c1-12(10-14-8-9-23-11-14)18-17(20)19-13(2)15-4-6-16(7-5-15)24(3,21)22/h4-9,11-13H,10H2,1-3H3,(H2,18,19,20)
InChIKeyHVONWHDFJJBWRN-UHFFFAOYSA-N
XLogP3.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea?
The IUPAC name of 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea (CID 51124447) is 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea?
The canonical SMILES for 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea is CC(Cc1ccsc1)NC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea?
The InChIKey is HVONWHDFJJBWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-12(10-14-8-9-23-11-14)18-17(20)19-13(2)15-4-6-16(7-5-15)24(3,21)22/h4-9,11-13H,10H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea?
1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea has a molecular weight of 366.51 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea is sourced from PubChem (CID 51124447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).