2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide

C12H17N3O2S — CID 78993194

IUPAC2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide
SMILESNC(=O)CN(CCSc1ccccc1)CC(N)=O
InChIInChI=1S/C12H17N3O2S/c13-11(16)8-15(9-12(14)17)6-7-18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,16)(H2,14,17)
InChIKeySOQKZJAKDLEXJQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.05
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide

2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide (PubChem CID 78993194) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide
PubChem CID78993194
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide
SMILESNC(=O)CN(CCSc1ccccc1)CC(N)=O
InChIInChI=1S/C12H17N3O2S/c13-11(16)8-15(9-12(14)17)6-7-18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,16)(H2,14,17)
InChIKeySOQKZJAKDLEXJQ-UHFFFAOYSA-N
XLogP0.05
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962175
N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
CID 15762909
2-[2-phenylsulfanylethyl(propyl)amino]acetic acid
CID 79227310
3-[ethyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 79227461
2-phenylsulfanylethyl hydrogen carbonate
CID 54537895
2,2-dimethyl-4-phenylsulfanylbutanamide
CID 142130509
N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962685
2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide
CID 114162393
1,5-bis(phenylsulfanyl)pentan-3-one
CID 14244732
3-[ethyl(2-phenylsulfanylethyl)amino]-2-methylpropanethioamide
CID 79222046
2-methyl-2-[methyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 79228537
4-(2-phenylsulfanylethylamino)butanamide
CID 79214062

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide (CID 78993194) is 2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide is NC(=O)CN(CCSc1ccccc1)CC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide?
The InChIKey is SOQKZJAKDLEXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-11(16)8-15(9-12(14)17)6-7-18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,16)(H2,14,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide has a molecular weight of 267.35 g/mol, XLogP of 0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2-phenylsulfanylethyl)amino]acetamide is sourced from PubChem (CID 78993194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).