2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide

C16H19N3O3S2 — CID 44775847

IUPAC2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19N3O3S2/c1-2-10-23-16-14(4-3-9-18-16)15(20)19-11-12-5-7-13(8-6-12)24(17,21)22/h3-9H,2,10-11H2,1H3,(H,19,20)(H2,17,21,22)
InChIKeyKGNNYKHDCZIIPT-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.16
Rot. Bonds7

About 2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide

2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 44775847) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
PubChem CID44775847
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19N3O3S2/c1-2-10-23-16-14(4-3-9-18-16)15(20)19-11-12-5-7-13(8-6-12)24(17,21)22/h3-9H,2,10-11H2,1H3,(H,19,20)(H2,17,21,22)
InChIKeyKGNNYKHDCZIIPT-UHFFFAOYSA-N
XLogP2.16
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
2-[2-(benzenesulfonyl)propylsulfanyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 141230980
2-[3-(4-fluorophenyl)propylsulfanyl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 67521454
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(3,5-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 25220963
N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78950948
4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide
CID 79777228
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 25222085
2-[(3-bromophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 16719157
2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 10136336
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propylsulfanylpyridine-3-carboxamide
CID 44760748
N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide
CID 44760772

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide (CID 44775847) is 2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide is CCCSc1ncccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is KGNNYKHDCZIIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-2-10-23-16-14(4-3-9-18-16)15(20)19-11-12-5-7-13(8-6-12)24(17,21)22/h3-9H,2,10-11H2,1H3,(H,19,20)(H2,17,21,22).
What are the key properties of 2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 44775847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).