N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide

C12H16N2O3S — CID 108542258

IUPACN-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide
SMILESCOCC(=O)NCCNC(=O)c1ccccc1S
InChIInChI=1S/C12H16N2O3S/c1-17-8-11(15)13-6-7-14-12(16)9-4-2-3-5-10(9)18/h2-5,18H,6-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyPCQOGLNWIDOCKL-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.47
Rot. Bonds6

About N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide

N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide (PubChem CID 108542258) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide
PubChem CID108542258
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide
SMILESCOCC(=O)NCCNC(=O)c1ccccc1S
InChIInChI=1S/C12H16N2O3S/c1-17-8-11(15)13-6-7-14-12(16)9-4-2-3-5-10(9)18/h2-5,18H,6-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyPCQOGLNWIDOCKL-UHFFFAOYSA-N
XLogP0.47
TPSA67.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 47029147
2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108538105
N-[2-(3-methylbutanoylamino)ethyl]-2-sulfanylbenzamide
CID 108538517
N-[2-(3-phenylpropanoylamino)ethyl]-2-sulfanylbenzamide
CID 108542237
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-sulfanylbenzamide
CID 108541230
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
CID 103601610
2-hydroxy-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108540085
N-[2-(ethylsulfonylamino)ethyl]-2-sulfanylbenzamide
CID 108573441
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide
CID 108540071
N-(4-hydroxypentyl)-2-sulfanylbenzamide
CID 106137767

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide?
The IUPAC name of N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide (CID 108542258) is N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide?
The canonical SMILES for N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide is COCC(=O)NCCNC(=O)c1ccccc1S.
What is the InChIKey of N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide?
The InChIKey is PCQOGLNWIDOCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-17-8-11(15)13-6-7-14-12(16)9-4-2-3-5-10(9)18/h2-5,18H,6-8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide?
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide has a molecular weight of 268.34 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide is sourced from PubChem (CID 108542258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).