N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide

C20H18N2OS — CID 27645794

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCCc2c[nH]c3ccccc23)sc2ccccc12
InChIInChI=1S/C20H18N2OS/c1-13-15-6-3-5-9-18(15)24-19(13)20(23)21-11-10-14-12-22-17-8-4-2-7-16(14)17/h2-9,12,22H,10-11H2,1H3,(H,21,23)
InChIKeyZGTBSXXGUVHXMQ-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.66
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 27645794) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID27645794
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCCc2c[nH]c3ccccc23)sc2ccccc12
InChIInChI=1S/C20H18N2OS/c1-13-15-6-3-5-9-18(15)24-19(13)20(23)21-11-10-14-12-22-17-8-4-2-7-16(14)17/h2-9,12,22H,10-11H2,1H3,(H,21,23)
InChIKeyZGTBSXXGUVHXMQ-UHFFFAOYSA-N
XLogP4.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110853376
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 31115481
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117378
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 84576677
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578480
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 9453799
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 27645794) is N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NCCc2c[nH]c3ccccc23)sc2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is ZGTBSXXGUVHXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-13-15-6-3-5-9-18(15)24-19(13)20(23)21-11-10-14-12-22-17-8-4-2-7-16(14)17/h2-9,12,22H,10-11H2,1H3,(H,21,23).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 27645794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).