1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea

C14H24N2O2S — CID 111503737

IUPAC1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea
SMILESCC(C)CC(CCO)CNC(=O)NCc1cccs1
InChIInChI=1S/C14H24N2O2S/c1-11(2)8-12(5-6-17)9-15-14(18)16-10-13-4-3-7-19-13/h3-4,7,11-12,17H,5-6,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyMSCRHUOOAXGYEE-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.59
Rot. Bonds8

About 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 111503737) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID111503737
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea
SMILESCC(C)CC(CCO)CNC(=O)NCc1cccs1
InChIInChI=1S/C14H24N2O2S/c1-11(2)8-12(5-6-17)9-15-14(18)16-10-13-4-3-7-19-13/h3-4,7,11-12,17H,5-6,8-10H2,1-2H3,(H2,15,16,18)
InChIKeyMSCRHUOOAXGYEE-UHFFFAOYSA-N
XLogP2.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol
CID 111498599
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 111504487
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
1-ethyl-3-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111715514
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
2-methyl-4-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 80540659
1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 99876553
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea
CID 111499032
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea (CID 111503737) is 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea is CC(C)CC(CCO)CNC(=O)NCc1cccs1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is MSCRHUOOAXGYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)8-12(5-6-17)9-15-14(18)16-10-13-4-3-7-19-13/h3-4,7,11-12,17H,5-6,8-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 284.42 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 111503737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).