N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C23H19N5O2S — CID 55433688

IUPACN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCC(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H19N5O2S/c29-22(14-28-23(30)16-7-2-4-9-20(16)26-27-28)25-13-18(21-10-5-11-31-21)17-12-24-19-8-3-1-6-15(17)19/h1-12,18,24H,13-14H2,(H,25,29)
InChIKeyQQDIKCXWHCEISB-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 55433688) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID55433688
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCC(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H19N5O2S/c29-22(14-28-23(30)16-7-2-4-9-20(16)26-27-28)25-13-18(21-10-5-11-31-21)17-12-24-19-8-3-1-6-15(17)19/h1-12,18,24H,13-14H2,(H,25,29)
InChIKeyQQDIKCXWHCEISB-UHFFFAOYSA-N
XLogP3.28
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 55436300
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55329126
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 55329076
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879286
N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 31139341
N-[4-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 55366766
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 55329238
3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714437
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42924005

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 55433688) is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is O=C(Cn1nnc2ccccc2c1=O)NCC(c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is QQDIKCXWHCEISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c29-22(14-28-23(30)16-7-2-4-9-20(16)26-27-28)25-13-18(21-10-5-11-31-21)17-12-24-19-8-3-1-6-15(17)19/h1-12,18,24H,13-14H2,(H,25,29).
What are the key properties of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 429.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 55433688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).