1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea

C12H18N2OS — CID 115168679

IUPAC1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea
SMILESCCSc1ccc(CCN(C)C(N)=O)cc1
InChIInChI=1S/C12H18N2OS/c1-3-16-11-6-4-10(5-7-11)8-9-14(2)12(13)15/h4-7H,3,8-9H2,1-2H3,(H2,13,15)
InChIKeyRGUSSVICTHBVFC-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.35
Rot. Bonds5

About 1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea

1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea (PubChem CID 115168679) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea
PubChem CID115168679
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea
SMILESCCSc1ccc(CCN(C)C(N)=O)cc1
InChIInChI=1S/C12H18N2OS/c1-3-16-11-6-4-10(5-7-11)8-9-14(2)12(13)15/h4-7H,3,8-9H2,1-2H3,(H2,13,15)
InChIKeyRGUSSVICTHBVFC-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide
CID 115191334
1-[2-(4-ethylphenyl)ethyl]-1-methylurea
CID 115168590
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
2-[2-(4-ethylsulfanylphenyl)ethyl-methylamino]acetic acid
CID 115005512
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
4-(4-ethylsulfanylphenyl)butan-2-one
CID 96657765
1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168593
3-amino-1-methyl-1-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 115193067
3-N-[2-(4-ethylsulfanylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040479
1-amino-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 115192940
N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 110790662
2-amino-5-(4-ethylsulfanylphenyl)pentanoic acid
CID 115005516

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea (CID 115168679) is 1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea is CCSc1ccc(CCN(C)C(N)=O)cc1.
What is the InChIKey of 1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea?
The InChIKey is RGUSSVICTHBVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-16-11-6-4-10(5-7-11)8-9-14(2)12(13)15/h4-7H,3,8-9H2,1-2H3,(H2,13,15).
What are the key properties of 1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea?
1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea has a molecular weight of 238.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 115168679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).