1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea

C15H24N2O3S — CID 95984563

IUPAC1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
SMILESCCOc1ccccc1NC(=O)NC[C@@](C)(O)CCSC
InChIInChI=1S/C15H24N2O3S/c1-4-20-13-8-6-5-7-12(13)17-14(18)16-11-15(2,19)9-10-21-3/h5-8,19H,4,9-11H2,1-3H3,(H2,16,17,18)/t15-/m0/s1
InChIKeyJRBXCABPPYPQJF-HNNXBMFYSA-N
MW312.44 g/mol
LogP2.71
Rot. Bonds8

About 1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea

1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea (PubChem CID 95984563) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
PubChem CID95984563
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
SMILESCCOc1ccccc1NC(=O)NC[C@@](C)(O)CCSC
InChIInChI=1S/C15H24N2O3S/c1-4-20-13-8-6-5-7-12(13)17-14(18)16-11-15(2,19)9-10-21-3/h5-8,19H,4,9-11H2,1-3H3,(H2,16,17,18)/t15-/m0/s1
InChIKeyJRBXCABPPYPQJF-HNNXBMFYSA-N
XLogP2.71
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
CID 95984547
1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120450
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea
CID 94813267
N'-(2-ethoxyphenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
CID 90501078
(2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide
CID 22691913
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787292
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
CID 113213798
1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea
CID 71787402
4-(2-ethoxyanilino)-2-methylbutan-2-ol
CID 79359575
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea (CID 95984563) is 1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea is CCOc1ccccc1NC(=O)NC[C@@](C)(O)CCSC.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea?
The InChIKey is JRBXCABPPYPQJF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-20-13-8-6-5-7-12(13)17-14(18)16-11-15(2,19)9-10-21-3/h5-8,19H,4,9-11H2,1-3H3,(H2,16,17,18)/t15-/m0/s1.
What are the key properties of 1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea?
1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea has a molecular weight of 312.44 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea is sourced from PubChem (CID 95984563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).