N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

C19H18N2O2S2 — CID 55530430

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCOc1cc(CNC(=O)c2ccccc2SCc2cccs2)ccn1
InChIInChI=1S/C19H18N2O2S2/c1-23-18-11-14(8-9-20-18)12-21-19(22)16-6-2-3-7-17(16)25-13-15-5-4-10-24-15/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyVYANUSXGXRSGPD-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.37
Rot. Bonds7

About N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 55530430) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID55530430
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESCOc1cc(CNC(=O)c2ccccc2SCc2cccs2)ccn1
InChIInChI=1S/C19H18N2O2S2/c1-23-18-11-14(8-9-20-18)12-21-19(22)16-6-2-3-7-17(16)25-13-15-5-4-10-24-15/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyVYANUSXGXRSGPD-UHFFFAOYSA-N
XLogP4.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 46477730
2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 24533628
N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18283562
N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9489372
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119506712
N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9399909
methyl N-[4-[[2-(thiophen-2-ylmethylsulfanyl)benzoyl]amino]phenyl]carbamate
CID 55804766
2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 25346113
2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 18167359
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 18277956
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 55530430) is N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is COc1cc(CNC(=O)c2ccccc2SCc2cccs2)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is VYANUSXGXRSGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-23-18-11-14(8-9-20-18)12-21-19(22)16-6-2-3-7-17(16)25-13-15-5-4-10-24-15/h2-11H,12-13H2,1H3,(H,21,22).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 370.50 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55530430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).