2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide

C18H20N4O3S2 — CID 25044931

IUPAC2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESCCCc1ccc(C#N)c(SC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H20N4O3S2/c1-3-4-14-6-5-13(11-19)18(22-14)26-12(2)17(23)21-15-7-9-16(10-8-15)27(20,24)25/h5-10,12H,3-4H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyQXWYHDYHCSUZAH-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.67
Rot. Bonds7

About 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide

2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 25044931) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
PubChem CID25044931
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC Name2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESCCCc1ccc(C#N)c(SC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H20N4O3S2/c1-3-4-14-6-5-13(11-19)18(22-14)26-12(2)17(23)21-15-7-9-16(10-8-15)27(20,24)25/h5-10,12H,3-4H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyQXWYHDYHCSUZAH-UHFFFAOYSA-N
XLogP2.67
TPSA125.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide
CID 21232515
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide
CID 23830325
(2S)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 7761820
N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide
CID 23998194
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-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 25038387
N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide
CID 25038433
N-(1,3-benzothiazol-2-yl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]propanamide
CID 23886607
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 848027
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide
CID 23743217
(2S)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25356296
(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-sulfamoylphenyl)propanamide
CID 9454357

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide (CID 25044931) is 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide is CCCc1ccc(C#N)c(SC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is QXWYHDYHCSUZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-3-4-14-6-5-13(11-19)18(22-14)26-12(2)17(23)21-15-7-9-16(10-8-15)27(20,24)25/h5-10,12H,3-4H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 404.52 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 25044931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).