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

C21H22N2O3S — CID 22513815

IUPAC6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESCOc1ccc2c(Sc3ccccc3)c(C(=O)NCC3CCCO3)[nH]c2c1
InChIInChI=1S/C21H22N2O3S/c1-25-14-9-10-17-18(12-14)23-19(20(17)27-16-7-3-2-4-8-16)21(24)22-13-15-6-5-11-26-15/h2-4,7-10,12,15,23H,5-6,11,13H2,1H3,(H,22,24)
InChIKeyBIWYOKZRURPCOB-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.24
Rot. Bonds6

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

6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide (PubChem CID 22513815) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide
PubChem CID22513815
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESCOc1ccc2c(Sc3ccccc3)c(C(=O)NCC3CCCO3)[nH]c2c1
InChIInChI=1S/C21H22N2O3S/c1-25-14-9-10-17-18(12-14)23-19(20(17)27-16-7-3-2-4-8-16)21(24)22-13-15-6-5-11-26-15/h2-4,7-10,12,15,23H,5-6,11,13H2,1H3,(H,22,24)
InChIKeyBIWYOKZRURPCOB-UHFFFAOYSA-N
XLogP4.24
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 22513802
7-methoxy-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
CID 51684426
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
6-chloro-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 113205264
4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 7554172
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 94016602
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194992
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843784
2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92647201

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide (CID 22513815) is 6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide is COc1ccc2c(Sc3ccccc3)c(C(=O)NCC3CCCO3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide?
The InChIKey is BIWYOKZRURPCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-25-14-9-10-17-18(12-14)23-19(20(17)27-16-7-3-2-4-8-16)21(24)22-13-15-6-5-11-26-15/h2-4,7-10,12,15,23H,5-6,11,13H2,1H3,(H,22,24).
What are the key properties of 6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide?
6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(oxolan-2-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxamide is sourced from PubChem (CID 22513815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).