N-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide

C8H16N2O2S — CID 2053712

IUPACN-[2-(2-acetamidoethylsulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSCCNC(=O)C
InChIInChI=1S/C8H16N2O2S/c1-7(11)9-3-5-13-6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyMTKKSVZRQYFVME-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.50
Rot. Bonds6

About N-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide

N-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide (PubChem CID 2053712) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-[2-(2-acetamidoethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound NameN-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide
PubChem CID2053712
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-[2-(2-acetamidoethylsulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSCCNC(=O)C
InChIInChI=1S/C8H16N2O2S/c1-7(11)9-3-5-13-6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyMTKKSVZRQYFVME-UHFFFAOYSA-N
XLogP-0.50
TPSA83.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity156

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-(Dithiodiethylene)bisacetamide
CID 12526
N-(2-methylsulfanylethyl)acetamide
CID 2245987
Ethanethioic acid, S-(2-(acetylamino)ethyl) ester
CID 14997
N-Acetylthioglycine S-ethyl ester
CID 15553243
3,3'-sulfanediylbis[N-(butan-2-yl)propanamide]
CID 2931410
N-(2-(Acetylsulfanyl)ethyl)-2-aminoethanimidic acid--hydrogen bromide (1/1)
CID 57211
Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide
CID 57217
2-(2-acetamidoethylsulfanyl)-N-[4-(3-aminopropylamino)butyl]acetamide;hydrochloride
CID 118721819
N-glycyl-S-acetylcys-teamine
CID 57212
S-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]ethyl] ethanethioate
CID 126660
N-(2-(3-(2-(Acetylamino)ethyl)trisulfanyl)ethyl)acetamide
CID 334898
2,2,2-Trifluoro-N-(2-{[2-(2,2,2-trifluoroacetamido)ethyl]sulfanyl}ethyl)acetamide
CID 2055987

Frequently Asked Questions

What is the IUPAC name of N-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide?
The IUPAC name of N-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide (CID 2053712) is N-[2-(2-acetamidoethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for N-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide?
The canonical SMILES for N-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide is CC(=O)NCCSCCNC(=O)C.
What is the InChIKey of N-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide?
The InChIKey is MTKKSVZRQYFVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-7(11)9-3-5-13-6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide?
N-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide has a molecular weight of 204.29 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-{2-[(2-Acetamidoethyl)sulfanyl]ethyl}acetamide is sourced from PubChem (CID 2053712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).