1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea

C14H24N2O2S — CID 111338206

IUPAC1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea
SMILESCCC(NC(=O)NCC(O)C(C)CC)c1cccs1
InChIInChI=1S/C14H24N2O2S/c1-4-10(3)12(17)9-15-14(18)16-11(5-2)13-7-6-8-19-13/h6-8,10-12,17H,4-5,9H2,1-3H3,(H2,15,16,18)
InChIKeyAUWQVRQAZATBHC-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.91
Rot. Bonds7

About 1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea

1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea (PubChem CID 111338206) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea
PubChem CID111338206
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea
SMILESCCC(NC(=O)NCC(O)C(C)CC)c1cccs1
InChIInChI=1S/C14H24N2O2S/c1-4-10(3)12(17)9-15-14(18)16-11(5-2)13-7-6-8-19-13/h6-8,10-12,17H,4-5,9H2,1-3H3,(H2,15,16,18)
InChIKeyAUWQVRQAZATBHC-UHFFFAOYSA-N
XLogP2.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea
CID 111507839
1-benzyl-3-(1-thiophen-2-ylpropyl)urea
CID 47322594
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111337836
2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
CID 113308183
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
3-methyl-4-(1-thiophen-2-ylbutylcarbamoylamino)butanoic acid
CID 81069049
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
3-methyl-5-oxo-5-(1-thiophen-2-ylpropylcarbamoylamino)pentanoic acid
CID 62963797
1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-thiophen-2-ylpropyl)urea
CID 75383509
1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 97233716
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea (CID 111338206) is 1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea is CCC(NC(=O)NCC(O)C(C)CC)c1cccs1.
What is the InChIKey of 1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea?
The InChIKey is AUWQVRQAZATBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-10(3)12(17)9-15-14(18)16-11(5-2)13-7-6-8-19-13/h6-8,10-12,17H,4-5,9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea?
1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea has a molecular weight of 284.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 111338206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).