2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide

C17H19NO3S2 — CID 97000289

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide
SMILESCOc1ccc(SCC(=O)NCC[S@](=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S2/c1-21-14-7-9-15(10-8-14)22-13-17(19)18-11-12-23(20)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,18,19)/t23-/m0/s1
InChIKeyNRYXAYWBGARYDD-QHCPKHFHSA-N
MW349.48 g/mol
LogP2.71
Rot. Bonds8

About 2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide

2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide (PubChem CID 97000289) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide
PubChem CID97000289
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide
SMILESCOc1ccc(SCC(=O)NCC[S@](=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S2/c1-21-14-7-9-15(10-8-14)22-13-17(19)18-11-12-23(20)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,18,19)/t23-/m0/s1
InChIKeyNRYXAYWBGARYDD-QHCPKHFHSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 86981464
N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 107318867
5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 62032850
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
CID 112816195
N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 30397462
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318007
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 55908417
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41287271

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide (CID 97000289) is 2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide is COc1ccc(SCC(=O)NCC[S@](=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide?
The InChIKey is NRYXAYWBGARYDD-QHCPKHFHSA-N. The full InChI is InChI=1S/C17H19NO3S2/c1-21-14-7-9-15(10-8-14)22-13-17(19)18-11-12-23(20)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,18,19)/t23-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide?
2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide is sourced from PubChem (CID 97000289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).