5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide

C15H14ClN3OS — CID 106033368

IUPAC5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NCCc3ccc(Cl)s3)cc2c1
InChIInChI=1S/C15H14ClN3OS/c16-14-4-2-11(21-14)5-6-18-15(20)13-8-9-7-10(17)1-3-12(9)19-13/h1-4,7-8,19H,5-6,17H2,(H,18,20)
InChIKeyHTNKAGKRNBTKPP-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.44
Rot. Bonds4

About 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide

5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 106033368) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID106033368
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESNc1ccc2[nH]c(C(=O)NCCc3ccc(Cl)s3)cc2c1
InChIInChI=1S/C15H14ClN3OS/c16-14-4-2-11(21-14)5-6-18-15(20)13-8-9-7-10(17)1-3-12(9)19-13/h1-4,7-8,19H,5-6,17H2,(H,18,20)
InChIKeyHTNKAGKRNBTKPP-UHFFFAOYSA-N
XLogP3.44
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-Chloro-3-phenylthioindole-2-carboxamide
CID 189896
5-chloro-N-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 454852
2-chloro-N-[(3R)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 15991547
5-chloro-3-[methoxy(2-thienyl)phosphoryl]-1H-indole-2-carboxamide
CID 15958992
2-chloro-N-{1-[(dimethylcarbamoyl)methyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10410468
2-chloro-N-{1-[(methylcarbamoyl)methyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10432087
2-Chloro-N-[1-(cyanomethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10452640
2-Chloro-N-[1-(carbamoylmethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10476254
1-{[5-(5-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801097
1-{[(5-chlorothiophen-2-yl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801159
1-[(6-chloro-1-benzothiophen-2-yl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801160
2,3-dichloro-N-(2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 21906826

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide (CID 106033368) is 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide is Nc1ccc2[nH]c(C(=O)NCCc3ccc(Cl)s3)cc2c1.
What is the InChIKey of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is HTNKAGKRNBTKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c16-14-4-2-11(21-14)5-6-18-15(20)13-8-9-7-10(17)1-3-12(9)19-13/h1-4,7-8,19H,5-6,17H2,(H,18,20).
What are the key properties of 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide?
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 319.82 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 106033368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).