N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide

C16H17N3O4S — CID 51552612

IUPACN-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide
SMILESCOc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H17N3O4S/c1-23-14-6-4-12(5-7-14)18-15(20)10-24(22)11-16(21)19-13-3-2-8-17-9-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)/t24-/m1/s1
InChIKeyZIZIWQWVXLSWTR-XMMPIXPASA-N
MW347.40 g/mol
LogP1.42
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide

N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide (PubChem CID 51552612) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide
PubChem CID51552612
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide
SMILESCOc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H17N3O4S/c1-23-14-6-4-12(5-7-14)18-15(20)10-24(22)11-16(21)19-13-3-2-8-17-9-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)/t24-/m1/s1
InChIKeyZIZIWQWVXLSWTR-XMMPIXPASA-N
XLogP1.42
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetic acid
CID 854402
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
CID 51552903
N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide
CID 1462946
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-3-ylacetamide
CID 40694759
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide
CID 108526026
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
CID 24792559
N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea
CID 97185687
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 40512822

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide (CID 51552612) is N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide is COc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2cccnc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide?
The InChIKey is ZIZIWQWVXLSWTR-XMMPIXPASA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-23-14-6-4-12(5-7-14)18-15(20)10-24(22)11-16(21)19-13-3-2-8-17-9-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)/t24-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide?
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide has a molecular weight of 347.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl]acetamide is sourced from PubChem (CID 51552612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).