1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide

C16H15N3O2S — CID 83282723

IUPAC1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
SMILESCCn1c(C(N)=O)cc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C16H15N3O2S/c1-2-19-12-6-5-11(8-10(12)9-13(19)15(17)20)18-16(21)14-4-3-7-22-14/h3-9H,2H2,1H3,(H2,17,20)(H,18,21)
InChIKeyJVFQEMWWKGEVEX-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.07
Rot. Bonds4

About 1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide

1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide (PubChem CID 83282723) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
PubChem CID83282723
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
SMILESCCn1c(C(N)=O)cc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C16H15N3O2S/c1-2-19-12-6-5-11(8-10(12)9-13(19)15(17)20)18-16(21)14-4-3-7-22-14/h3-9H,2H2,1H3,(H2,17,20)(H,18,21)
InChIKeyJVFQEMWWKGEVEX-UHFFFAOYSA-N
XLogP3.07
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-(propanoylamino)indole-2-carboxamide
CID 90488702
1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide
CID 83282725
N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
CID 83281798
N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 828717
N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 17236134
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 23612865
N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide
CID 141192457
N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 83289579
N-[2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 46263459
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
ethyl 5-(thiophene-2-carbonylamino)-1-benzothiophene-2-carboxylate
CID 46404316
N-[3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298769

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide?
The IUPAC name of 1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide (CID 83282723) is 1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide is CCn1c(C(N)=O)cc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of 1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide?
The InChIKey is JVFQEMWWKGEVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-2-19-12-6-5-11(8-10(12)9-13(19)15(17)20)18-16(21)14-4-3-7-22-14/h3-9H,2H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide?
1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide is sourced from PubChem (CID 83282723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).