N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide

C20H21N3O2S — CID 144812274

IUPACN-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3ccc(SCCNC=O)c(C)c3)cc2c1
InChIInChI=1S/C20H21N3O2S/c1-13-3-5-17-15(9-13)11-18(23-17)20(25)22-16-4-6-19(14(2)10-16)26-8-7-21-12-24/h3-6,9-12,23H,7-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyREKPAAOCBAWJFK-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.88
Rot. Bonds7

About N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide

N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 144812274) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID144812274
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)Nc3ccc(SCCNC=O)c(C)c3)cc2c1
InChIInChI=1S/C20H21N3O2S/c1-13-3-5-17-15(9-13)11-18(23-17)20(25)22-16-4-6-19(14(2)10-16)26-8-7-21-12-24/h3-6,9-12,23H,7-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyREKPAAOCBAWJFK-UHFFFAOYSA-N
XLogP3.88
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 113207145
N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 46550602
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide
CID 145164495
(2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone
CID 59088763
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 36868472
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide (CID 144812274) is N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)Nc3ccc(SCCNC=O)c(C)c3)cc2c1.
What is the InChIKey of N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is REKPAAOCBAWJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-3-5-17-15(9-13)11-18(23-17)20(25)22-16-4-6-19(14(2)10-16)26-8-7-21-12-24/h3-6,9-12,23H,7-8H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide?
N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-formamidoethylsulfanyl)-3-methylphenyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 144812274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).