N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide

C18H21N3O2S — CID 18912418

IUPACN-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(SC(C)C(=O)Nc2ccncc2)c1
InChIInChI=1S/C18H21N3O2S/c1-3-5-17(22)20-15-6-4-7-16(12-15)24-13(2)18(23)21-14-8-10-19-11-9-14/h4,6-13H,3,5H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyWQTVCJGYBVRXHF-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.94
Rot. Bonds7

About N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide

N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide (PubChem CID 18912418) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide.

Molecular Properties

Compound NameN-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide
PubChem CID18912418
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(SC(C)C(=O)Nc2ccncc2)c1
InChIInChI=1S/C18H21N3O2S/c1-3-5-17(22)20-15-6-4-7-16(12-15)24-13(2)18(23)21-14-8-10-19-11-9-14/h4,6-13H,3,5H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyWQTVCJGYBVRXHF-UHFFFAOYSA-N
XLogP3.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 18901523
4-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 18897042
N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 22775784
N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913138
butyl 4-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate
CID 18903015
N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 18912780
4-[3-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 18897003
N-[3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 18902989
4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide
CID 19629813
N-[3-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 18899137
N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 19629770
N-[3-[2-(4-acetamidoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901782

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide?
The IUPAC name of N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide (CID 18912418) is N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide.
What is the SMILES notation for N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide?
The canonical SMILES for N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide is CCCC(=O)Nc1cccc(SC(C)C(=O)Nc2ccncc2)c1.
What is the InChIKey of N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide?
The InChIKey is WQTVCJGYBVRXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-5-17(22)20-15-6-4-7-16(12-15)24-13(2)18(23)21-14-8-10-19-11-9-14/h4,6-13H,3,5H2,1-2H3,(H,20,22)(H,19,21,23).
What are the key properties of N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide?
N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide has a molecular weight of 343.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]butanamide is sourced from PubChem (CID 18912418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).