N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide

C16H16N2O2S — CID 115939141

IUPACN-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide
SMILESCCC(=O)c1ccc(Sc2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C16H16N2O2S/c1-3-16(20)15-9-8-14(10-17-15)21-13-6-4-12(5-7-13)18-11(2)19/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyCRIUNTDVEFCSAD-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.78
Rot. Bonds5

About N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide

N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide (PubChem CID 115939141) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide
PubChem CID115939141
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide
SMILESCCC(=O)c1ccc(Sc2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C16H16N2O2S/c1-3-16(20)15-9-8-14(10-17-15)21-13-6-4-12(5-7-13)18-11(2)19/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyCRIUNTDVEFCSAD-UHFFFAOYSA-N
XLogP3.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one
CID 112583933
N-[4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
CID 103938113
1-(5-methylsulfanyl-2-pyridinyl)propan-1-one
CID 68711933
N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
CID 83123882
1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 112583937
6-[(6-propanoyl-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 115938818
1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 115939134
1-[5-(1,3-benzoxazol-2-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 115939142
1-[5-(3-hydroxy-2-methylpropyl)sulfanyl-2-pyridinyl]propan-1-one
CID 112584006
1-[5-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]ethanone
CID 83119793
N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432
5-acetamidopyridine-2-carboxylic acid
CID 5278292

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide (CID 115939141) is N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide is CCC(=O)c1ccc(Sc2ccc(NC(C)=O)cc2)cn1.
What is the InChIKey of N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide?
The InChIKey is CRIUNTDVEFCSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-16(20)15-9-8-14(10-17-15)21-13-6-4-12(5-7-13)18-11(2)19/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide?
N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 115939141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).