1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea

C14H16N2O2S2 — CID 75507329

IUPAC1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea
SMILESCS(=O)Cc1ccccc1NC(=O)NCc1cccs1
InChIInChI=1S/C14H16N2O2S2/c1-20(18)10-11-5-2-3-7-13(11)16-14(17)15-9-12-6-4-8-19-12/h2-8H,9-10H2,1H3,(H2,15,16,17)
InChIKeyIZDSXZSAKGWRHA-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.95
Rot. Bonds5

About 1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 75507329) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID75507329
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea
SMILESCS(=O)Cc1ccccc1NC(=O)NCc1cccs1
InChIInChI=1S/C14H16N2O2S2/c1-20(18)10-11-5-2-3-7-13(11)16-14(17)15-9-12-6-4-8-19-12/h2-8H,9-10H2,1H3,(H2,15,16,17)
InChIKeyIZDSXZSAKGWRHA-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(S)-methylsulfinyl]methyl]phenyl]-3-thiophen-2-ylpropanamide
CID 99630865
1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47195993
1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47041181
1-(thiophen-2-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47173526
N-[2-[(thiophen-2-ylmethylamino)methyl]phenyl]acetamide
CID 66290268
3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide
CID 86815311
2-[2-(thiophen-2-ylmethylcarbamoylamino)phenyl]sulfanylacetamide
CID 134061199
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 47034839
1-(4-hydroxy-2,3,5-trimethylphenyl)-3-[2-(methylsulfinylmethyl)phenyl]urea
CID 119034707
(2S)-2-methyl-N-[2-[[(S)-methylsulfinyl]methyl]phenyl]butanamide
CID 97306982
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056882

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea (CID 75507329) is 1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea is CS(=O)Cc1ccccc1NC(=O)NCc1cccs1.
What is the InChIKey of 1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is IZDSXZSAKGWRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-20(18)10-11-5-2-3-7-13(11)16-14(17)15-9-12-6-4-8-19-12/h2-8H,9-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 308.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 75507329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).