2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide

C13H10Cl2N2OS — CID 103806044

IUPAC2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H10Cl2N2OS/c14-11-6-9(12(15)19-11)13(18)17-8-1-2-10-7(5-8)3-4-16-10/h1-2,5-6,16H,3-4H2,(H,17,18)
InChIKeyXMRFTABPWWZFNR-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.28
Rot. Bonds2

About 2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide

2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide (PubChem CID 103806044) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide
PubChem CID103806044
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC Name2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H10Cl2N2OS/c14-11-6-9(12(15)19-11)13(18)17-8-1-2-10-7(5-8)3-4-16-10/h1-2,5-6,16H,3-4H2,(H,17,18)
InChIKeyXMRFTABPWWZFNR-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-2-carboxamide
CID 63252721
2,4-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 63252988
2-bromo-5-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 103806053
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide
CID 82771926
3-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 55169715
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzamide
CID 63252782
5-chloro-N-(2,3-dihydro-1H-indol-5-yl)furan-2-carboxamide
CID 55168567
N-(2,3-dihydro-1H-indol-5-yl)thiadiazole-4-carboxamide
CID 65216392
5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
CID 65312010
N-(2,3-dihydro-1H-indol-5-yl)-2-fluoro-5-methylbenzamide
CID 63252982
2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
CID 81112809
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide (CID 103806044) is 2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide is O=C(Nc1ccc2c(c1)CCN2)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide?
The InChIKey is XMRFTABPWWZFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c14-11-6-9(12(15)19-11)13(18)17-8-1-2-10-7(5-8)3-4-16-10/h1-2,5-6,16H,3-4H2,(H,17,18).
What are the key properties of 2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide has a molecular weight of 313.21 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 103806044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).