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

C16H16N2OS — CID 2571989

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2c[nH]c3ccccc23)s1
InChIInChI=1S/C16H16N2OS/c1-11-6-7-15(20-11)16(19)17-9-8-12-10-18-14-5-3-2-4-13(12)14/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyJUNWYDLGMKTCMB-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.51
Rot. Bonds4

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

N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 2571989) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID2571989
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2c[nH]c3ccccc23)s1
InChIInChI=1S/C16H16N2OS/c1-11-6-7-15(20-11)16(19)17-9-8-12-10-18-14-5-3-2-4-13(12)14/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKeyJUNWYDLGMKTCMB-UHFFFAOYSA-N
XLogP3.51
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
CID 146014943
8-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
CID 10406614
N-(2-(1H-indol-3-yl)ethyl)benzamide
CID 684658
3-(1-benzothiophen-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327663
3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327668
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
Maleimide derivative, 5
CID 10477747
Pyrrolopyridine, 13
CID 16719973
Pyrrolopyridine, 15
CID 16719976
5-(2-methyl-1h-indol-1-yl)-N-propylthiophene-2-carboxamide
CID 44481106
N-(pyridin-2-ylmethyl)-2-(2-thien-2-yl-1H-indol-1-yl)acetamide
CID 46275360

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide (CID 2571989) is N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)s1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is JUNWYDLGMKTCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-6-7-15(20-11)16(19)17-9-8-12-10-18-14-5-3-2-4-13(12)14/h2-7,10,18H,8-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.51, 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]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 2571989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).