1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea

C11H18N2OS — CID 116654591

IUPAC1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
SMILESCCN(C)C(=O)N(CC)Cc1cccs1
InChIInChI=1S/C11H18N2OS/c1-4-12(3)11(14)13(5-2)9-10-7-6-8-15-10/h6-8H,4-5,9H2,1-3H3
InChIKeyCHUOXAYDDKOIKI-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.64
Rot. Bonds4

About 1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea

1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea (PubChem CID 116654591) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
PubChem CID116654591
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
SMILESCCN(C)C(=O)N(CC)Cc1cccs1
InChIInChI=1S/C11H18N2OS/c1-4-12(3)11(14)13(5-2)9-10-7-6-8-15-10/h6-8H,4-5,9H2,1-3H3
InChIKeyCHUOXAYDDKOIKI-UHFFFAOYSA-N
XLogP2.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 55097027
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 78802720
3-[ethyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487712
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
N-ethyl-2-methyl-2-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 62848345
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
3-[cyclopropyl-[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61437782
1-benzyl-1,3-diethyl-3-methylurea
CID 116654057

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea (CID 116654591) is 1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea is CCN(C)C(=O)N(CC)Cc1cccs1.
What is the InChIKey of 1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea?
The InChIKey is CHUOXAYDDKOIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-12(3)11(14)13(5-2)9-10-7-6-8-15-10/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea?
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea has a molecular weight of 226.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 116654591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).