1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide

C22H19N3O2S — CID 167846220

IUPAC1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide
SMILESCn1ccc2c(C(=O)Nc3ccccc3NC(=O)Cc3cccs3)cccc21
InChIInChI=1S/C22H19N3O2S/c1-25-12-11-16-17(7-4-10-20(16)25)22(27)24-19-9-3-2-8-18(19)23-21(26)14-15-6-5-13-28-15/h2-13H,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyBJMLCEANBMCDBQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.67
Rot. Bonds5

About 1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide

1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide (PubChem CID 167846220) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide
PubChem CID167846220
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide
SMILESCn1ccc2c(C(=O)Nc3ccccc3NC(=O)Cc3cccs3)cccc21
InChIInChI=1S/C22H19N3O2S/c1-25-12-11-16-17(7-4-10-20(16)25)22(27)24-19-9-3-2-8-18(19)23-21(26)14-15-6-5-13-28-15/h2-13H,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyBJMLCEANBMCDBQ-UHFFFAOYSA-N
XLogP4.67
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-(2-ethoxyphenyl)-1-methylindole-4-carboxamide
CID 112522704
2-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]-1H-pyrrole-3-carboxamide
CID 122147242
N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide
CID 112524553
N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110731525
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 31970330
N-(3-fluorophenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 38269111
N-(4-methoxyphenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 2975011
N-[2-(morpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 2988771
N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 7299999
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide (CID 167846220) is 1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide is Cn1ccc2c(C(=O)Nc3ccccc3NC(=O)Cc3cccs3)cccc21.
What is the InChIKey of 1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide?
The InChIKey is BJMLCEANBMCDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-25-12-11-16-17(7-4-10-20(16)25)22(27)24-19-9-3-2-8-18(19)23-21(26)14-15-6-5-13-28-15/h2-13H,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide?
1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]indole-4-carboxamide is sourced from PubChem (CID 167846220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).