6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

C22H19N3O2S — CID 22513802

IUPAC6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2c(Sc3ccccc3)c(C(=O)NCc3cccnc3)[nH]c2c1
InChIInChI=1S/C22H19N3O2S/c1-27-16-9-10-18-19(12-16)25-20(21(18)28-17-7-3-2-4-8-17)22(26)24-14-15-6-5-11-23-13-15/h2-13,25H,14H2,1H3,(H,24,26)
InChIKeyPTRPPWLIXSZZTP-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.65
Rot. Bonds6

About 6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 22513802) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
PubChem CID22513802
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2c(Sc3ccccc3)c(C(=O)NCc3cccnc3)[nH]c2c1
InChIInChI=1S/C22H19N3O2S/c1-27-16-9-10-18-19(12-16)25-20(21(18)28-17-7-3-2-4-8-17)22(26)24-14-15-6-5-11-23-13-15/h2-13,25H,14H2,1H3,(H,24,26)
InChIKeyPTRPPWLIXSZZTP-UHFFFAOYSA-N
XLogP4.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513803
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513808
N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513841
N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513772
6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 11690230
6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513815
6-methoxy-3-methyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 113205416
3,6-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 113204984
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954035
1-benzyl-6-methoxy-2-propan-2-yl-N-(pyridin-3-ylmethyl)indole-3-carboxamide
CID 123570891
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide (CID 22513802) is 6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide is COc1ccc2c(Sc3ccccc3)c(C(=O)NCc3cccnc3)[nH]c2c1.
What is the InChIKey of 6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is PTRPPWLIXSZZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-16-9-10-18-19(12-16)25-20(21(18)28-17-7-3-2-4-8-17)22(26)24-14-15-6-5-11-23-13-15/h2-13,25H,14H2,1H3,(H,24,26).
What are the key properties of 6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 22513802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).