N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide

C24H19N3O2S2 — CID 22781894

IUPACN-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(SC(C(=O)Nc2ccccn2)c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C24H19N3O2S2/c28-23(20-9-6-16-30-20)26-18-11-13-19(14-12-18)31-22(17-7-2-1-3-8-17)24(29)27-21-10-4-5-15-25-21/h1-16,22H,(H,26,28)(H,25,27,29)
InChIKeyDFOYLLHZSGGAEB-UHFFFAOYSA-N
MW445.57 g/mol
LogP5.87
Rot. Bonds7

About N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide

N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 22781894) has the molecular formula C24H19N3O2S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID22781894
Molecular FormulaC24H19N3O2S2
Molecular Weight445.57 g/mol
Exact Mass445.09
IUPAC NameN-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(SC(C(=O)Nc2ccccn2)c2ccccc2)cc1)c1cccs1
InChIInChI=1S/C24H19N3O2S2/c28-23(20-9-6-16-30-20)26-18-11-13-19(14-12-18)31-22(17-7-2-1-3-8-17)24(29)27-21-10-4-5-15-25-21/h1-16,22H,(H,26,28)(H,25,27,29)
InChIKeyDFOYLLHZSGGAEB-UHFFFAOYSA-N
XLogP5.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22782420
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
N-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23099768
N-[4-[2-(2,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23101325
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23100908
N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906376
N-[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23101523
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenyl-N-pyridin-2-ylacetamide
CID 23098793
N-[3-[2-(4-carbamoylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906394
N-[3-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906360
N'-[(2S)-2-phenyl-2-phenylsulfanylacetyl]thiophene-2-carbohydrazide
CID 7600839
N-[(Z)-1-naphthalen-1-yl-3-oxo-3-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19714740

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide (CID 22781894) is N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide is O=C(Nc1ccc(SC(C(=O)Nc2ccccn2)c2ccccc2)cc1)c1cccs1.
What is the InChIKey of N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is DFOYLLHZSGGAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S2/c28-23(20-9-6-16-30-20)26-18-11-13-19(14-12-18)31-22(17-7-2-1-3-8-17)24(29)27-21-10-4-5-15-25-21/h1-16,22H,(H,26,28)(H,25,27,29).
What are the key properties of N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide?
N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 22781894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).