2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

C19H19N3O4S2 — CID 25045381

IUPAC2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(SCc1ccco1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-14(27-13-16-5-4-12-26-16)19(23)21-15-7-9-17(10-8-15)28(24,25)22-18-6-2-3-11-20-18/h2-12,14H,13H2,1H3,(H,20,22)(H,21,23)
InChIKeySEMLZRVPJLSUBD-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.74
Rot. Bonds8

About 2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 25045381) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID25045381
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(SCc1ccco1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-14(27-13-16-5-4-12-26-16)19(23)21-15-7-9-17(10-8-15)28(24,25)22-18-6-2-3-11-20-18/h2-12,14H,13H2,1H3,(H,20,22)(H,21,23)
InChIKeySEMLZRVPJLSUBD-UHFFFAOYSA-N
XLogP3.74
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 92674258
2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 71300028
2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
CID 23970430
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25038009
N-(4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43082939
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 28565199
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25034800
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522
N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125023
(2S)-2-benzylsulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 93487007

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (CID 25045381) is 2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is CC(SCc1ccco1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is SEMLZRVPJLSUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-14(27-13-16-5-4-12-26-16)19(23)21-15-7-9-17(10-8-15)28(24,25)22-18-6-2-3-11-20-18/h2-12,14H,13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 417.51 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 25045381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).