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

C17H19N3O2S — CID 18912435

IUPACN-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(SCC(=O)Nc2ccccn2)c1
InChIInChI=1S/C17H19N3O2S/c1-2-6-16(21)19-13-7-5-8-14(11-13)23-12-17(22)20-15-9-3-4-10-18-15/h3-5,7-11H,2,6,12H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyWZTSSZHFVMJUIP-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.55
Rot. Bonds7

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

N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide (PubChem CID 18912435) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide
PubChem CID18912435
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(SCC(=O)Nc2ccccn2)c1
InChIInChI=1S/C17H19N3O2S/c1-2-6-16(21)19-13-7-5-8-14(11-13)23-12-17(22)20-15-9-3-4-10-18-15/h3-5,7-11H,2,6,12H2,1H3,(H,19,21)(H,18,20,22)
InChIKeyWZTSSZHFVMJUIP-UHFFFAOYSA-N
XLogP3.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
CID 19318390
2-fluoro-N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide
CID 18913011
methyl 2-[3-(butanoylamino)phenyl]sulfanylacetate
CID 19318417
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide
CID 18901579
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 18901591
2-naphthalen-2-ylsulfanyl-N-pyridin-2-ylacetamide
CID 39922635
N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]butanamide
CID 18899156
ethyl 4-[3-(butanoylamino)phenyl]sulfanyl-3-oxobutanoate
CID 19318471
N-[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19299435
N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 18903057
N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide
CID 18899148

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide?
The IUPAC name of N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide (CID 18912435) is N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide.
What is the SMILES notation for N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide?
The canonical SMILES for N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide is CCCC(=O)Nc1cccc(SCC(=O)Nc2ccccn2)c1.
What is the InChIKey of N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide?
The InChIKey is WZTSSZHFVMJUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-2-6-16(21)19-13-7-5-8-14(11-13)23-12-17(22)20-15-9-3-4-10-18-15/h3-5,7-11H,2,6,12H2,1H3,(H,19,21)(H,18,20,22).
What are the key properties of N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide?
N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide has a molecular weight of 329.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide is sourced from PubChem (CID 18912435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).