1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea

C16H20N2OS — CID 22575169

IUPAC1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCCc2csc(C)c2C)c1
InChIInChI=1S/C16H20N2OS/c1-11-5-4-6-15(9-11)18-16(19)17-8-7-14-10-20-13(3)12(14)2/h4-6,9-10H,7-8H2,1-3H3,(H2,17,18,19)
InChIKeyBSFFAHHWEWEVJP-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.04
Rot. Bonds4

About 1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea

1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea (PubChem CID 22575169) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea
PubChem CID22575169
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCCc2csc(C)c2C)c1
InChIInChI=1S/C16H20N2OS/c1-11-5-4-6-15(9-11)18-16(19)17-8-7-14-10-20-13(3)12(14)2/h4-6,9-10H,7-8H2,1-3H3,(H2,17,18,19)
InChIKeyBSFFAHHWEWEVJP-UHFFFAOYSA-N
XLogP4.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea
CID 22575158
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217127
1-[2-(2,4-dimethylphenyl)ethyl]-3-(3-ethylphenyl)urea
CID 3831940
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61132641
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
CID 62663674
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
1-(3-methylphenyl)-3-thiophen-2-ylurea
CID 108889157
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea
CID 113283188

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea (CID 22575169) is 1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCCc2csc(C)c2C)c1.
What is the InChIKey of 1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea?
The InChIKey is BSFFAHHWEWEVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-5-4-6-15(9-11)18-16(19)17-8-7-14-10-20-13(3)12(14)2/h4-6,9-10H,7-8H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea?
1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea has a molecular weight of 288.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 22575169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).