2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide

C16H11ClN2O2S — CID 174426207

IUPAC2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESO=C(NC1=Cc2ccccc2C1O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C16H11ClN2O2S/c17-13-7-9-6-12(19-16(9)22-13)15(21)18-11-5-8-3-1-2-4-10(8)14(11)20/h1-7,14,19-20H,(H,18,21)
InChIKeyONYZZGOCSPQCSC-UHFFFAOYSA-N
MW330.80 g/mol
LogP3.70
Rot. Bonds2

About 2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide

2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 174426207) has the molecular formula C16H11ClN2O2S and a molecular weight of 330.80 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID174426207
Molecular FormulaC16H11ClN2O2S
Molecular Weight330.80 g/mol
Exact Mass330.02
IUPAC Name2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESO=C(NC1=Cc2ccccc2C1O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C16H11ClN2O2S/c17-13-7-9-6-12(19-16(9)22-13)15(21)18-11-5-8-3-1-2-4-10(8)14(11)20/h1-7,14,19-20H,(H,18,21)
InChIKeyONYZZGOCSPQCSC-UHFFFAOYSA-N
XLogP3.70
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 174426207) is 2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide is O=C(NC1=Cc2ccccc2C1O)c1cc2cc(Cl)sc2[nH]1.
What is the InChIKey of 2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is ONYZZGOCSPQCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2S/c17-13-7-9-6-12(19-16(9)22-13)15(21)18-11-5-8-3-1-2-4-10(8)14(11)20/h1-7,14,19-20H,(H,18,21).
What are the key properties of 2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide?
2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 330.80 g/mol, XLogP of 3.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxy-1H-inden-2-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 174426207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).