N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide

C13H18N2O2S — CID 107023123

IUPACN-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
SMILESCC(C)NC(=O)CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C13H18N2O2S/c1-9(2)15-13(17)8-14-12(16)7-10-3-5-11(18)6-4-10/h3-6,9,18H,7-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJNVDAMDJPPFZAG-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.16
Rot. Bonds5

About N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide

N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide (PubChem CID 107023123) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
PubChem CID107023123
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
SMILESCC(C)NC(=O)CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C13H18N2O2S/c1-9(2)15-13(17)8-14-12(16)7-10-3-5-11(18)6-4-10/h3-6,9,18H,7-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJNVDAMDJPPFZAG-UHFFFAOYSA-N
XLogP1.16
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301966
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide
CID 107035066
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
CID 78814712
N-hexan-2-yl-2-(4-sulfanylphenyl)acetamide
CID 107028010
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-methyl-3-[[2-(4-sulfanylphenyl)acetyl]amino]propanamide
CID 107027277
N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107030073
4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide
CID 9300683
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(4-sulfanylphenyl)acetamide
CID 107034590
N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107034090
2-(4-methylsulfanylphenyl)-N-propan-2-ylacetamide
CID 110771193

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide (CID 107023123) is N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide is CC(C)NC(=O)CNC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide?
The InChIKey is JNVDAMDJPPFZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(2)15-13(17)8-14-12(16)7-10-3-5-11(18)6-4-10/h3-6,9,18H,7-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide?
N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide has a molecular weight of 266.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107023123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).