N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide

C16H26N2O2S — CID 144626110

IUPACN-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide
SMILESCCc1ccccc1CCNC(=O)C(C)CC(O)CNS
InChIInChI=1S/C16H26N2O2S/c1-3-13-6-4-5-7-14(13)8-9-17-16(20)12(2)10-15(19)11-18-21/h4-7,12,15,18-19,21H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyZCQDNKGQPOVDAI-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.73
Rot. Bonds9

About N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide

N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide (PubChem CID 144626110) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide.

Molecular Properties

Compound NameN-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide
PubChem CID144626110
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide
SMILESCCc1ccccc1CCNC(=O)C(C)CC(O)CNS
InChIInChI=1S/C16H26N2O2S/c1-3-13-6-4-5-7-14(13)8-9-17-16(20)12(2)10-15(19)11-18-21/h4-7,12,15,18-19,21H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyZCQDNKGQPOVDAI-UHFFFAOYSA-N
XLogP1.73
TPSA61.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
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CID 172620668
N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
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2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
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(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
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CID 120872754

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide?
The IUPAC name of N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide (CID 144626110) is N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide.
What is the SMILES notation for N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide?
The canonical SMILES for N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide is CCc1ccccc1CCNC(=O)C(C)CC(O)CNS.
What is the InChIKey of N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide?
The InChIKey is ZCQDNKGQPOVDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-13-6-4-5-7-14(13)8-9-17-16(20)12(2)10-15(19)11-18-21/h4-7,12,15,18-19,21H,3,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide?
N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide has a molecular weight of 310.46 g/mol, XLogP of 1.73, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide is sourced from PubChem (CID 144626110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).