N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

C24H20N2OS3 — CID 36542663

IUPACN-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1ccccc1SCc1cccs1
InChIInChI=1S/C24H20N2OS3/c27-24(22-7-1-2-8-23(22)30-17-21-6-4-14-28-21)26-19-9-11-20(12-10-19)29-16-18-5-3-13-25-15-18/h1-15H,16-17H2,(H,26,27)
InChIKeyDOAPSSIKGHCWRC-UHFFFAOYSA-N
MW448.64 g/mol
LogP6.98
Rot. Bonds8

About N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 36542663) has the molecular formula C24H20N2OS3 and a molecular weight of 448.64 g/mol. Its IUPAC name is N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID36542663
Molecular FormulaC24H20N2OS3
Molecular Weight448.64 g/mol
Exact Mass448.07
IUPAC NameN-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1ccccc1SCc1cccs1
InChIInChI=1S/C24H20N2OS3/c27-24(22-7-1-2-8-23(22)30-17-21-6-4-14-28-21)26-19-9-11-20(12-10-19)29-16-18-5-3-13-25-15-18/h1-15H,16-17H2,(H,26,27)
InChIKeyDOAPSSIKGHCWRC-UHFFFAOYSA-N
XLogP6.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.64
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[[2-(thiophen-2-ylmethylsulfanyl)benzoyl]amino]phenyl]carbamate
CID 55804766
2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 134041922
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
N-(4-pyrrolidin-1-ylphenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18205229
N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 24513660
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
3-chloro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 62727163
(2S)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 79024068
N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 46669143
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18283562
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 36542663) is N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccccc1SCc1cccs1.
What is the InChIKey of N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is DOAPSSIKGHCWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2OS3/c27-24(22-7-1-2-8-23(22)30-17-21-6-4-14-28-21)26-19-9-11-20(12-10-19)29-16-18-5-3-13-25-15-18/h1-15H,16-17H2,(H,26,27).
What are the key properties of N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 448.64 g/mol, XLogP of 6.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 36542663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).