1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea

C14H24N2O2S — CID 111499032

IUPAC1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea
SMILESCc1ccc(NC(=O)NCC(CCO)CC(C)C)s1
InChIInChI=1S/C14H24N2O2S/c1-10(2)8-12(6-7-17)9-15-14(18)16-13-5-4-11(3)19-13/h4-5,10,12,17H,6-9H2,1-3H3,(H2,15,16,18)
InChIKeyIHEKKDXFOCYTQB-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.22
Rot. Bonds7

About 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea

1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea (PubChem CID 111499032) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea
PubChem CID111499032
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea
SMILESCc1ccc(NC(=O)NCC(CCO)CC(C)C)s1
InChIInChI=1S/C14H24N2O2S/c1-10(2)8-12(6-7-17)9-15-14(18)16-13-5-4-11(3)19-13/h4-5,10,12,17H,6-9H2,1-3H3,(H2,15,16,18)
InChIKeyIHEKKDXFOCYTQB-UHFFFAOYSA-N
XLogP3.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 111504487
1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea
CID 111486708
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
1-(5-chloro-2-fluorophenyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111521056
1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea
CID 71864463
1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea
CID 117235219
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea
CID 111503737
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111507954
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
1-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-(5-methylthiophen-2-yl)urea
CID 111486770
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662598

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea?
The IUPAC name of 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea (CID 111499032) is 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea is Cc1ccc(NC(=O)NCC(CCO)CC(C)C)s1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea?
The InChIKey is IHEKKDXFOCYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10(2)8-12(6-7-17)9-15-14(18)16-13-5-4-11(3)19-13/h4-5,10,12,17H,6-9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea?
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea has a molecular weight of 284.43 g/mol, XLogP of 3.22, 7 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-(5-methylthiophen-2-yl)urea is sourced from PubChem (CID 111499032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).