2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide

C20H16FN3O2S — CID 18913011

IUPAC2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1cccc(NC(=O)c2ccccc2F)c1)Nc1ccccn1
InChIInChI=1S/C20H16FN3O2S/c21-17-9-2-1-8-16(17)20(26)23-14-6-5-7-15(12-14)27-13-19(25)24-18-10-3-4-11-22-18/h1-12H,13H2,(H,23,26)(H,22,24,25)
InChIKeyXIEAZTXAPVBZSF-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.20
Rot. Bonds6

About 2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide

2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide (PubChem CID 18913011) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide
PubChem CID18913011
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1cccc(NC(=O)c2ccccc2F)c1)Nc1ccccn1
InChIInChI=1S/C20H16FN3O2S/c21-17-9-2-1-8-16(17)20(26)23-14-6-5-7-15(12-14)27-13-19(25)24-18-10-3-4-11-22-18/h1-12H,13H2,(H,23,26)(H,22,24,25)
InChIKeyXIEAZTXAPVBZSF-UHFFFAOYSA-N
XLogP4.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18913014
3-[[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 18903939
4-[[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 18903938
N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide
CID 18912435
N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 18903952
2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18899724
2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912590
2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22779257
2-naphthalen-2-ylsulfanyl-N-pyridin-2-ylacetamide
CID 39922635
2-fluoro-N-[3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18913016
8-[[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18898946
N-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906483

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide (CID 18913011) is 2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide is O=C(CSc1cccc(NC(=O)c2ccccc2F)c1)Nc1ccccn1.
What is the InChIKey of 2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide?
The InChIKey is XIEAZTXAPVBZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c21-17-9-2-1-8-16(17)20(26)23-14-6-5-7-15(12-14)27-13-19(25)24-18-10-3-4-11-22-18/h1-12H,13H2,(H,23,26)(H,22,24,25).
What are the key properties of 2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide?
2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide has a molecular weight of 381.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18913011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).