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

C23H21NO4S — CID 19299690

IUPACN-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESCOc1cccc(C(=O)CSc2cccc(NC(=O)COc3ccccc3)c2)c1
InChIInChI=1S/C23H21NO4S/c1-27-20-11-5-7-17(13-20)22(25)16-29-21-12-6-8-18(14-21)24-23(26)15-28-19-9-3-2-4-10-19/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyLHRAGPVRQHFPQU-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.69
Rot. Bonds9

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

N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide (PubChem CID 19299690) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
PubChem CID19299690
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC NameN-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESCOc1cccc(C(=O)CSc2cccc(NC(=O)COc3ccccc3)c2)c1
InChIInChI=1S/C23H21NO4S/c1-27-20-11-5-7-17(13-20)22(25)16-29-21-12-6-8-18(14-21)24-23(26)15-28-19-9-3-2-4-10-19/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyLHRAGPVRQHFPQU-UHFFFAOYSA-N
XLogP4.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19299693
(E)-4-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18894837
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide
CID 19318404
2,6-dimethoxy-N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299834
(E)-N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 19299456
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299420
ethyl 2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetate
CID 19318458
N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 19299539
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2,3,4,5-tetrachloro-6-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18894783
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905634
N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905643

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide (CID 19299690) is N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide is COc1cccc(C(=O)CSc2cccc(NC(=O)COc3ccccc3)c2)c1.
What is the InChIKey of N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The InChIKey is LHRAGPVRQHFPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4S/c1-27-20-11-5-7-17(13-20)22(25)16-29-21-12-6-8-18(14-21)24-23(26)15-28-19-9-3-2-4-10-19/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide has a molecular weight of 407.49 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 19299690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).