4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide

C16H17N3OS — CID 61117378

IUPAC4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCc2c[nH]c3ccccc23)cc1N
InChIInChI=1S/C16H17N3OS/c1-10-13(17)8-15(21-10)16(20)18-7-6-11-9-19-14-5-3-2-4-12(11)14/h2-5,8-9,19H,6-7,17H2,1H3,(H,18,20)
InChIKeyABMKICZJBQPNPQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.09
Rot. Bonds4

About 4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide

4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 61117378) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID61117378
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCc2c[nH]c3ccccc23)cc1N
InChIInChI=1S/C16H17N3OS/c1-10-13(17)8-15(21-10)16(20)18-7-6-11-9-19-14-5-3-2-4-12(11)14/h2-5,8-9,19H,6-7,17H2,1H3,(H,18,20)
InChIKeyABMKICZJBQPNPQ-UHFFFAOYSA-N
XLogP3.09
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110853376
N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
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-methyl-1-benzothiophene-2-carboxamide
CID 27645794
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 84576677
N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
CID 17365887
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794556
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578480
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 4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide (CID 61117378) is 4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NCCc2c[nH]c3ccccc23)cc1N.
What is the InChIKey of 4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is ABMKICZJBQPNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-13(17)8-15(21-10)16(20)18-7-6-11-9-19-14-5-3-2-4-12(11)14/h2-5,8-9,19H,6-7,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide?
4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61117378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).