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

C20H20ClN3O3S — CID 11668873

IUPAC2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOCC(=O)N(C)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C20H20ClN3O3S/c1-24(17(25)10-27-2)18-13-6-4-3-5-11(13)7-14(18)22-19(26)15-8-12-9-16(21)28-20(12)23-15/h3-6,8-9,14,18,23H,7,10H2,1-2H3,(H,22,26)/t14-,18-/m1/s1
InChIKeyDKOVCVKWDDMDOH-RDTXWAMCSA-N
MW417.92 g/mol
LogP3.38
Rot. Bonds5

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

2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 11668873) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID11668873
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOCC(=O)N(C)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1
InChIInChI=1S/C20H20ClN3O3S/c1-24(17(25)10-27-2)18-13-6-4-3-5-11(13)7-14(18)22-19(26)15-8-12-9-16(21)28-20(12)23-15/h3-6,8-9,14,18,23H,7,10H2,1-2H3,(H,22,26)/t14-,18-/m1/s1
InChIKeyDKOVCVKWDDMDOH-RDTXWAMCSA-N
XLogP3.38
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 11668873) is 2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is COCC(=O)N(C)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1.
What is the InChIKey of 2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is DKOVCVKWDDMDOH-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-24(17(25)10-27-2)18-13-6-4-3-5-11(13)7-14(18)22-19(26)15-8-12-9-16(21)28-20(12)23-15/h3-6,8-9,14,18,23H,7,10H2,1-2H3,(H,22,26)/t14-,18-/m1/s1.
What are the key properties of 2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide?
2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R,2R)-1-[(2-methoxyacetyl)-methylamino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 11668873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).