[6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate

C24H23N3O3S — CID 67174571

IUPAC[6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate
SMILESCOc1ccccc1CNCc1ccc2c(Sc3ccccc3)c(OC(N)=O)[nH]c2c1
InChIInChI=1S/C24H23N3O3S/c1-29-21-10-6-5-7-17(21)15-26-14-16-11-12-19-20(13-16)27-23(30-24(25)28)22(19)31-18-8-3-2-4-9-18/h2-13,26-27H,14-15H2,1H3,(H2,25,28)
InChIKeyTWHGAXAECIMSIA-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.07
Rot. Bonds8

About [6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate

[6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate (PubChem CID 67174571) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is [6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate.

Molecular Properties

Compound Name[6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate
PubChem CID67174571
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name[6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate
SMILESCOc1ccccc1CNCc1ccc2c(Sc3ccccc3)c(OC(N)=O)[nH]c2c1
InChIInChI=1S/C24H23N3O3S/c1-29-21-10-6-5-7-17(21)15-26-14-16-11-12-19-20(13-16)27-23(30-24(25)28)22(19)31-18-8-3-2-4-9-18/h2-13,26-27H,14-15H2,1H3,(H2,25,28)
InChIKeyTWHGAXAECIMSIA-UHFFFAOYSA-N
XLogP5.07
TPSA89.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate with MolForge

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Related Compounds

[6-[[(2,4-dimethoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate
CID 67174835
[6-[[(4-bromophenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate
CID 67174270
6-[[(3-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 11690230
6-[[3-(4-hydroxy-3-methoxyphenyl)prop-2-enylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 67095762
[3-phenylsulfanyl-5-[[3-(trifluoromethyl)anilino]methyl]-1H-indol-2-yl] carbamate
CID 67175649
N-benzyl-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513803
1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
CID 17365854
6-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 11719813
6-[[(10-chloroanthracen-9-yl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxylic acid
CID 142756815
[5-[[4-(3-phenylprop-1-enyl)piperazin-1-yl]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate
CID 87296539
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
N-[(4-ethoxyphenyl)methyl]-6-methoxy-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513841

Frequently Asked Questions

What is the IUPAC name of [6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate?
The IUPAC name of [6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate (CID 67174571) is [6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate.
What is the SMILES notation for [6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate?
The canonical SMILES for [6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate is COc1ccccc1CNCc1ccc2c(Sc3ccccc3)c(OC(N)=O)[nH]c2c1.
What is the InChIKey of [6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate?
The InChIKey is TWHGAXAECIMSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-29-21-10-6-5-7-17(21)15-26-14-16-11-12-19-20(13-16)27-23(30-24(25)28)22(19)31-18-8-3-2-4-9-18/h2-13,26-27H,14-15H2,1H3,(H2,25,28).
What are the key properties of [6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate?
[6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate has a molecular weight of 433.53 g/mol, XLogP of 5.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(2-methoxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indol-2-yl] carbamate is sourced from PubChem (CID 67174571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).