N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide

C16H16N2O3S — CID 17449163

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C16H16N2O3S/c1-21-13-8-4-2-6-11(13)16(20)18-12-7-3-5-9-14(12)22-10-15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyXLZQUANBFMXXMR-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.52
Rot. Bonds6

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide (PubChem CID 17449163) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide
PubChem CID17449163
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C16H16N2O3S/c1-21-13-8-4-2-6-11(13)16(20)18-12-7-3-5-9-14(12)22-10-15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyXLZQUANBFMXXMR-UHFFFAOYSA-N
XLogP2.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63681205
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N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
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2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide (CID 17449163) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccccc1SCC(N)=O.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide?
The InChIKey is XLZQUANBFMXXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-21-13-8-4-2-6-11(13)16(20)18-12-7-3-5-9-14(12)22-10-15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide has a molecular weight of 316.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide is sourced from PubChem (CID 17449163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).