6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

C24H23N3O2S — CID 11690230

IUPAC6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESCOc1cccc(CNCc2ccc3c(Sc4ccccc4)c(C(N)=O)[nH]c3c2)c1
InChIInChI=1S/C24H23N3O2S/c1-29-18-7-5-6-16(12-18)14-26-15-17-10-11-20-21(13-17)27-22(24(25)28)23(20)30-19-8-3-2-4-9-19/h2-13,26-27H,14-15H2,1H3,(H2,25,28)
InChIKeyVUJXYLNLAYONKC-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.72
Rot. Bonds8

About 6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide (PubChem CID 11690230) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
PubChem CID11690230
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
SMILESCOc1cccc(CNCc2ccc3c(Sc4ccccc4)c(C(N)=O)[nH]c3c2)c1
InChIInChI=1S/C24H23N3O2S/c1-29-18-7-5-6-16(12-18)14-26-15-17-10-11-20-21(13-17)27-22(24(25)28)23(20)30-19-8-3-2-4-9-19/h2-13,26-27H,14-15H2,1H3,(H2,25,28)
InChIKeyVUJXYLNLAYONKC-UHFFFAOYSA-N
XLogP4.72
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513803
6-[[3-(4-hydroxy-3-methoxyphenyl)prop-2-enylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 67095762
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513808
6-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 11719813
[6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate
CID 67174835
3-phenylsulfanyl-5-(propylaminomethyl)-1H-indole-2-carboxamide;hydrochloride
CID 76850758
6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 22513802
5-[(heptylamino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 11654110
N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513841
[6-[[(4-bromophenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate
CID 67174270
6-[[(10-chloroanthracen-9-yl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxylic acid
CID 142756815
6-[[[benzenesulfonyl(1H-pyrrol-2-yl)methyl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 67095838

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide?
The IUPAC name of 6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide (CID 11690230) is 6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide is COc1cccc(CNCc2ccc3c(Sc4ccccc4)c(C(N)=O)[nH]c3c2)c1.
What is the InChIKey of 6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide?
The InChIKey is VUJXYLNLAYONKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-29-18-7-5-6-16(12-18)14-26-15-17-10-11-20-21(13-17)27-22(24(25)28)23(20)30-19-8-3-2-4-9-19/h2-13,26-27H,14-15H2,1H3,(H2,25,28).
What are the key properties of 6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide?
6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 4.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide is sourced from PubChem (CID 11690230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).