N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide

C22H26N4O2S — CID 23998194

IUPACN-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide
SMILESCCCCc1ccc(C#N)c(SC(CC)C(=O)Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C22H26N4O2S/c1-4-6-7-17-9-8-16(14-23)22(26-17)29-20(5-2)21(28)25-19-12-10-18(11-13-19)24-15(3)27/h8-13,20H,4-7H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYABUNOKXCMMMRC-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.76
Rot. Bonds9

About N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide

N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide (PubChem CID 23998194) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide
PubChem CID23998194
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide
SMILESCCCCc1ccc(C#N)c(SC(CC)C(=O)Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C22H26N4O2S/c1-4-6-7-17-9-8-16(14-23)22(26-17)29-20(5-2)21(28)25-19-12-10-18(11-13-19)24-15(3)27/h8-13,20H,4-7H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYABUNOKXCMMMRC-UHFFFAOYSA-N
XLogP4.76
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide with MolForge

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Related Compounds

2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide
CID 23830325
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide
CID 23743217
ethyl 5-[2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanoylamino]-4-cyano-3-methylthiophene-2-carboxylate
CID 23885643
2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-(3,5-dimethylphenyl)butanamide
CID 23998162
2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide
CID 23886438
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 23997374
2-[4-[2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]propanoylamino]phenyl]quinoline-4-carboxylic acid
CID 23101061
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25044931
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide
CID 21232515
ethyl 4-cyano-5-[2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]butanoylamino]-3-methylthiophene-2-carboxylate
CID 23829585
2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide
CID 25036432
N-(1,3-benzothiazol-2-yl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]propanamide
CID 23886607

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide (CID 23998194) is N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide is CCCCc1ccc(C#N)c(SC(CC)C(=O)Nc2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide?
The InChIKey is YABUNOKXCMMMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-4-6-7-17-9-8-16(14-23)22(26-17)29-20(5-2)21(28)25-19-12-10-18(11-13-19)24-15(3)27/h8-13,20H,4-7H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide?
N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide has a molecular weight of 410.54 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide is sourced from PubChem (CID 23998194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).