N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide

C16H18N2O2S — CID 38533494

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide
SMILESCOc1ncccc1CNC(=O)c1ccc(CSC)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-16-14(4-3-9-17-16)10-18-15(19)13-7-5-12(6-8-13)11-21-2/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyZJQSNIUYFQTVSQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.88
Rot. Bonds6

About N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide

N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 38533494) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID38533494
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide
SMILESCOc1ncccc1CNC(=O)c1ccc(CSC)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-16-14(4-3-9-17-16)10-18-15(19)13-7-5-12(6-8-13)11-21-2/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyZJQSNIUYFQTVSQ-UHFFFAOYSA-N
XLogP2.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 38535025
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38534496
4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 55980866
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 53184866
2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485449
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide (CID 38533494) is N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide is COc1ncccc1CNC(=O)c1ccc(CSC)cc1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is ZJQSNIUYFQTVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-16-14(4-3-9-17-16)10-18-15(19)13-7-5-12(6-8-13)11-21-2/h3-9H,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide?
N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 302.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 38533494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).