6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide

C24H25N3O3S — CID 22554174

IUPAC6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C(=O)NCCc2c[nH]c3ccc(C)cc23)SCCO1
InChIInChI=1S/C24H25N3O3S/c1-15-7-8-20-19(13-15)17(14-26-20)9-10-25-23(28)18-5-3-4-6-21(18)27-24(29)22-16(2)30-11-12-31-22/h3-8,13-14,26H,9-12H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyUIAHSGQFGJASLO-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.38
Rot. Bonds6

About 6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide

6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide (PubChem CID 22554174) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
PubChem CID22554174
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C(=O)NCCc2c[nH]c3ccc(C)cc23)SCCO1
InChIInChI=1S/C24H25N3O3S/c1-15-7-8-20-19(13-15)17(14-26-20)9-10-25-23(28)18-5-3-4-6-21(18)27-24(29)22-16(2)30-11-12-31-22/h3-8,13-14,26H,9-12H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyUIAHSGQFGJASLO-UHFFFAOYSA-N
XLogP4.38
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(1H-imidazol-5-yl)ethylcarbamoyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
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CID 22553811
6-methyl-N-[2-[3-(4-propylpiperazin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22553850
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CID 84578480
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CID 50798360
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CID 110763695
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N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
5-chloro-2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 2988910
2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The IUPAC name of 6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide (CID 22554174) is 6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2C(=O)NCCc2c[nH]c3ccc(C)cc23)SCCO1.
What is the InChIKey of 6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The InChIKey is UIAHSGQFGJASLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-15-7-8-20-19(13-15)17(14-26-20)9-10-25-23(28)18-5-3-4-6-21(18)27-24(29)22-16(2)30-11-12-31-22/h3-8,13-14,26H,9-12H2,1-2H3,(H,25,28)(H,27,29).
What are the key properties of 6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide?
6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide is sourced from PubChem (CID 22554174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).