1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea

C14H24N2O2S — CID 97233716

IUPAC1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
SMILESCC[C@H](NC(=O)N[C@@H](CO)CC(C)C)c1cccs1
InChIInChI=1S/C14H24N2O2S/c1-4-12(13-6-5-7-19-13)16-14(18)15-11(9-17)8-10(2)3/h5-7,10-12,17H,4,8-9H2,1-3H3,(H2,15,16,18)/t11-,12+/m1/s1
InChIKeyGIVAPYPGEVDZHM-NEPJUHHUSA-N
MW284.42 g/mol
LogP2.91
Rot. Bonds7

About 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea

1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea (PubChem CID 97233716) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
PubChem CID97233716
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
SMILESCC[C@H](NC(=O)N[C@@H](CO)CC(C)C)c1cccs1
InChIInChI=1S/C14H24N2O2S/c1-4-12(13-6-5-7-19-13)16-14(18)15-11(9-17)8-10(2)3/h5-7,10-12,17H,4,8-9H2,1-3H3,(H2,15,16,18)/t11-,12+/m1/s1
InChIKeyGIVAPYPGEVDZHM-NEPJUHHUSA-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

Analyze 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea with MolForge

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Related Compounds

1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-thiophen-2-ylpropyl)urea
CID 75383509
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
(2S)-4-hydroxy-2-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 107826899
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
3-methyl-5-oxo-5-(1-thiophen-2-ylpropylcarbamoylamino)pentanoic acid
CID 62963797
1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea
CID 111338206
1-benzyl-3-(1-thiophen-2-ylpropyl)urea
CID 47322594
(2R)-4-amino-4-oxo-2-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 107826898
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
CID 113308183

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea?
The IUPAC name of 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea (CID 97233716) is 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea.
What is the SMILES notation for 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea?
The canonical SMILES for 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea is CC[C@H](NC(=O)N[C@@H](CO)CC(C)C)c1cccs1.
What is the InChIKey of 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea?
The InChIKey is GIVAPYPGEVDZHM-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-12(13-6-5-7-19-13)16-14(18)15-11(9-17)8-10(2)3/h5-7,10-12,17H,4,8-9H2,1-3H3,(H2,15,16,18)/t11-,12+/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea?
1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-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-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 97233716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).