4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide

C16H18N2OS — CID 47265352

IUPAC4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)Sc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H18N2OS/c1-12(2)20-15-7-5-14(6-8-15)16(19)18-11-13-4-3-9-17-10-13/h3-10,12H,11H2,1-2H3,(H,18,19)
InChIKeyPFCTUBIXSVHBOQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.51
Rot. Bonds5

About 4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide

4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 47265352) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID47265352
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)Sc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H18N2OS/c1-12(2)20-15-7-5-14(6-8-15)16(19)18-11-13-4-3-9-17-10-13/h3-10,12H,11H2,1-2H3,(H,18,19)
InChIKeyPFCTUBIXSVHBOQ-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-propan-2-ylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784665
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91625907
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199623
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109224955

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide (CID 47265352) is 4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide is CC(C)Sc1ccc(C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is PFCTUBIXSVHBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12(2)20-15-7-5-14(6-8-15)16(19)18-11-13-4-3-9-17-10-13/h3-10,12H,11H2,1-2H3,(H,18,19).
What are the key properties of 4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 286.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 47265352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).