1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea

C13H14N2O2S2 — CID 47028537

IUPAC1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1ccc(C(=O)CNC(=O)NCc2cccs2)s1
InChIInChI=1S/C13H14N2O2S2/c1-9-4-5-12(19-9)11(16)8-15-13(17)14-7-10-3-2-6-18-10/h2-6H,7-8H2,1H3,(H2,14,15,17)
InChIKeyOPDLWQPZYOOQSK-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 47028537) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID47028537
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1ccc(C(=O)CNC(=O)NCc2cccs2)s1
InChIInChI=1S/C13H14N2O2S2/c1-9-4-5-12(19-9)11(16)8-15-13(17)14-7-10-3-2-6-18-10/h2-6H,7-8H2,1H3,(H2,14,15,17)
InChIKeyOPDLWQPZYOOQSK-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46571619
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone
CID 62033658
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 58248831
5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
CID 46516732
1-(5-methylthiophen-2-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486407
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056882
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 71795363

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea (CID 47028537) is 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea is Cc1ccc(C(=O)CNC(=O)NCc2cccs2)s1.
What is the InChIKey of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is OPDLWQPZYOOQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-9-4-5-12(19-9)11(16)8-15-13(17)14-7-10-3-2-6-18-10/h2-6H,7-8H2,1H3,(H2,14,15,17).
What are the key properties of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 294.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 47028537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).