1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea

C12H20N2OS — CID 115627643

IUPAC1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea
SMILESCCN(C)C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-5-14(4)11(15)13-9-12(2,3)10-7-6-8-16-10/h6-8H,5,9H2,1-4H3,(H,13,15)
InChIKeyITCOCGWQULGADE-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.69
Rot. Bonds4

About 1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea

1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea (PubChem CID 115627643) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea
PubChem CID115627643
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea
SMILESCCN(C)C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-5-14(4)11(15)13-9-12(2,3)10-7-6-8-16-10/h6-8H,5,9H2,1-4H3,(H,13,15)
InChIKeyITCOCGWQULGADE-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079
4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 115157160
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide
CID 113236235
2-methyl-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]butanoic acid
CID 80527697
ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate
CID 78962055
2-(2-hydroxyphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 78963260
2-carbamothioyl-2-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 80527462
(2R)-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]butanoic acid
CID 80527715
1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
CID 110870552

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea (CID 115627643) is 1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea is CCN(C)C(=O)NCC(C)(C)c1cccs1.
What is the InChIKey of 1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea?
The InChIKey is ITCOCGWQULGADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-5-14(4)11(15)13-9-12(2,3)10-7-6-8-16-10/h6-8H,5,9H2,1-4H3,(H,13,15).
What are the key properties of 1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea?
1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea has a molecular weight of 240.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 115627643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).