2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide

C28H24N2OS — CID 123388410

IUPAC2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide
SMILESCSc1ccc(C(=O)Nc2cccc(-c3ccccn3)c2)c(-c2ccc(C3CC3)cc2)c1
InChIInChI=1S/C28H24N2OS/c1-32-24-14-15-25(26(18-24)21-12-10-20(11-13-21)19-8-9-19)28(31)30-23-6-4-5-22(17-23)27-7-2-3-16-29-27/h2-7,10-19H,8-9H2,1H3,(H,30,31)
InChIKeyXUHLYJZSZBCLNP-UHFFFAOYSA-N
MW436.58 g/mol
LogP7.27
Rot. Bonds6

About 2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide

2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide (PubChem CID 123388410) has the molecular formula C28H24N2OS and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide
PubChem CID123388410
Molecular FormulaC28H24N2OS
Molecular Weight436.58 g/mol
Exact Mass436.16
IUPAC Name2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide
SMILESCSc1ccc(C(=O)Nc2cccc(-c3ccccn3)c2)c(-c2ccc(C3CC3)cc2)c1
InChIInChI=1S/C28H24N2OS/c1-32-24-14-15-25(26(18-24)21-12-10-20(11-13-21)19-8-9-19)28(31)30-23-6-4-5-22(17-23)27-7-2-3-16-29-27/h2-7,10-19H,8-9H2,1H3,(H,30,31)
InChIKeyXUHLYJZSZBCLNP-UHFFFAOYSA-N
XLogP7.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfonyl-N-(3-pyridin-2-ylphenyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 70797526
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide
CID 123710564
N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576795
2-fluoro-6-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
CID 70797434
2-(5-chloro-2-methoxyphenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfanylbenzamide
CID 123487588
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021
5-chloro-N-(3-pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 142392244
4-(2-hydroxypropan-2-yl)-N-(3-pyridin-2-ylphenyl)benzamide
CID 142392143
2,2-difluoro-N-(3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;methylcyclopropane
CID 169176034
4-methoxy-2-[5-methylsulfonyl-2-[(3-pyridin-2-ylphenyl)carbamoyl]phenyl]benzamide
CID 70797255
N-(3-methoxyphenyl)-2-pyridin-2-ylbenzamide
CID 140997803
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide?
The IUPAC name of 2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide (CID 123388410) is 2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide?
The canonical SMILES for 2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide is CSc1ccc(C(=O)Nc2cccc(-c3ccccn3)c2)c(-c2ccc(C3CC3)cc2)c1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide?
The InChIKey is XUHLYJZSZBCLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2OS/c1-32-24-14-15-25(26(18-24)21-12-10-20(11-13-21)19-8-9-19)28(31)30-23-6-4-5-22(17-23)27-7-2-3-16-29-27/h2-7,10-19H,8-9H2,1H3,(H,30,31).
What are the key properties of 2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide?
2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide has a molecular weight of 436.58 g/mol, XLogP of 7.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-4-methylsulfanyl-N-(3-pyridin-2-ylphenyl)benzamide is sourced from PubChem (CID 123388410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).