N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide

C16H16N2O3S — CID 19318404

IUPACN-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide
SMILESNC(=O)CSc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C16H16N2O3S/c17-15(19)11-22-14-8-4-5-12(9-14)18-16(20)10-21-13-6-2-1-3-7-13/h1-9H,10-11H2,(H2,17,19)(H,18,20)
InChIKeyKEOKKPCAGIOCPF-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.28
Rot. Bonds7

About N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide

N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide (PubChem CID 19318404) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide
PubChem CID19318404
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide
SMILESNC(=O)CSc1cccc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C16H16N2O3S/c17-15(19)11-22-14-8-4-5-12(9-14)18-16(20)10-21-13-6-2-1-3-7-13/h1-9H,10-11H2,(H2,17,19)(H,18,20)
InChIKeyKEOKKPCAGIOCPF-UHFFFAOYSA-N
XLogP2.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate
CID 19318458
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905634
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19299690
N-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905619
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
N-[3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19299693
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
CID 19318390
N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22778580
N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905643
N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide (CID 19318404) is N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide is NC(=O)CSc1cccc(NC(=O)COc2ccccc2)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide?
The InChIKey is KEOKKPCAGIOCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c17-15(19)11-22-14-8-4-5-12(9-14)18-16(20)10-21-13-6-2-1-3-7-13/h1-9H,10-11H2,(H2,17,19)(H,18,20).
What are the key properties of N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide?
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide has a molecular weight of 316.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 19318404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).