2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide

C13H19N3O2S — CID 119438522

IUPAC2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide
SMILESCCNCc1cccc(NC(=O)CSCC(N)=O)c1
InChIInChI=1S/C13H19N3O2S/c1-2-15-7-10-4-3-5-11(6-10)16-13(18)9-19-8-12(14)17/h3-6,15H,2,7-9H2,1H3,(H2,14,17)(H,16,18)
InChIKeyDXGNVHVSDFBCRL-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.95
Rot. Bonds8

About 2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide

2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide (PubChem CID 119438522) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide
PubChem CID119438522
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide
SMILESCCNCc1cccc(NC(=O)CSCC(N)=O)c1
InChIInChI=1S/C13H19N3O2S/c1-2-15-7-10-4-3-5-11(6-10)16-13(18)9-19-8-12(14)17/h3-6,15H,2,7-9H2,1H3,(H2,14,17)(H,16,18)
InChIKeyDXGNVHVSDFBCRL-UHFFFAOYSA-N
XLogP0.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]phenyl]propanoic acid
CID 120613865
N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 119438197
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide
CID 43601289
N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
CID 119438626
2-(3,4-dimethoxyphenyl)-N-[3-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119438239
N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide
CID 119438658
4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 43639639
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
CID 55102725
3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide
CID 119438401
N-[3-(aminomethyl)phenyl]-2-methylsulfanylacetamide
CID 63254431

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide (CID 119438522) is 2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide is CCNCc1cccc(NC(=O)CSCC(N)=O)c1.
What is the InChIKey of 2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is DXGNVHVSDFBCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-15-7-10-4-3-5-11(6-10)16-13(18)9-19-8-12(14)17/h3-6,15H,2,7-9H2,1H3,(H2,14,17)(H,16,18).
What are the key properties of 2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide?
2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 281.38 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 119438522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).