2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide

C27H19N5O2S — CID 23410533

IUPAC2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C27H19N5O2S/c28-25(34)18-14-22(16-8-2-1-3-9-16)35-27(18)31-23(33)15-32-21-13-7-4-10-17(21)24-26(32)30-20-12-6-5-11-19(20)29-24/h1-14H,15H2,(H2,28,34)(H,31,33)
InChIKeyIEGKBKAPORKZEY-UHFFFAOYSA-N
MW477.55 g/mol
LogP5.20
Rot. Bonds5

About 2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide

2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide (PubChem CID 23410533) has the molecular formula C27H19N5O2S and a molecular weight of 477.55 g/mol. Its IUPAC name is 2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide
PubChem CID23410533
Molecular FormulaC27H19N5O2S
Molecular Weight477.55 g/mol
Exact Mass477.13
IUPAC Name2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C27H19N5O2S/c28-25(34)18-14-22(16-8-2-1-3-9-16)35-27(18)31-23(33)15-32-21-13-7-4-10-17(21)24-26(32)30-20-12-6-5-11-19(20)29-24/h1-14H,15H2,(H2,28,34)(H,31,33)
InChIKeyIEGKBKAPORKZEY-UHFFFAOYSA-N
XLogP5.20
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide with MolForge

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Related Compounds

2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 28527293
5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
CID 87897926
ethyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate
CID 7504335
5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide
CID 3534907
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide
CID 16857900
2-(2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-10-yl)acetic acid
CID 22562352
4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9169110
2-(3-phenothiazin-10-ylpropanoylamino)-5-phenylthiophene-3-carboxamide
CID 2446842
2-[[2-(4-acetylanilino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9113396
2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide
CID 67119830
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 7998372

Frequently Asked Questions

What is the IUPAC name of 2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide (CID 23410533) is 2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of 2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is IEGKBKAPORKZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O2S/c28-25(34)18-14-22(16-8-2-1-3-9-16)35-27(18)31-23(33)15-32-21-13-7-4-10-17(21)24-26(32)30-20-12-6-5-11-19(20)29-24/h1-14H,15H2,(H2,28,34)(H,31,33).
What are the key properties of 2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide?
2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-indolo[3,2-b]quinoxalin-6-ylacetyl)amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 23410533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).