2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide

C24H24N4OS — CID 9110031

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCc1cc(C)nc(SCc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C24H24N4OS/c1-16-13-17(2)28-24(27-16)30-15-19-7-3-4-9-21(19)23(29)25-12-11-18-14-26-22-10-6-5-8-20(18)22/h3-10,13-14,26H,11-12,15H2,1-2H3,(H,25,29)
InChIKeyOGIJFRKTNDJBFS-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.84
Rot. Bonds7

About 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide

2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 9110031) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID9110031
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCc1cc(C)nc(SCc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C24H24N4OS/c1-16-13-17(2)28-24(27-16)30-15-19-7-3-4-9-21(19)23(29)25-12-11-18-14-26-22-10-6-5-8-20(18)22/h3-10,13-14,26H,11-12,15H2,1-2H3,(H,25,29)
InChIKeyOGIJFRKTNDJBFS-UHFFFAOYSA-N
XLogP4.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrazine-2-carboxamide
CID 146080613
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320846
2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331647
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 41359467
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 84576677
2-(2,3-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331642

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 9110031) is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide is Cc1cc(C)nc(SCc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is OGIJFRKTNDJBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-16-13-17(2)28-24(27-16)30-15-19-7-3-4-9-21(19)23(29)25-12-11-18-14-26-22-10-6-5-8-20(18)22/h3-10,13-14,26H,11-12,15H2,1-2H3,(H,25,29).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 416.55 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 9110031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).