(8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

C20H23N3O2S — CID 15603110

IUPAC(8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1cscc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C20H23N3O2S/c1-11-9-26-10-15(11)17-7-6-13-14(20(24)22(3)4)8-16-18(19(13)25-17)21-12(2)23(16)5/h8-10,17H,6-7H2,1-5H3/t17-/m0/s1
InChIKeyZIXLXCKECRMCJY-KRWDZBQOSA-N
MW369.49 g/mol
LogP4.02
Rot. Bonds2

About (8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

(8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (PubChem CID 15603110) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is (8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
PubChem CID15603110
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name(8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1cscc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C20H23N3O2S/c1-11-9-26-10-15(11)17-7-6-13-14(20(24)22(3)4)8-16-18(19(13)25-17)21-12(2)23(16)5/h8-10,17H,6-7H2,1-5H3/t17-/m0/s1
InChIKeyZIXLXCKECRMCJY-KRWDZBQOSA-N
XLogP4.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The IUPAC name of (8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (CID 15603110) is (8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.
What is the SMILES notation for (8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The canonical SMILES for (8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is Cc1cscc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1.
What is the InChIKey of (8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The InChIKey is ZIXLXCKECRMCJY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-11-9-26-10-15(11)17-7-6-13-14(20(24)22(3)4)8-16-18(19(13)25-17)21-12(2)23(16)5/h8-10,17H,6-7H2,1-5H3/t17-/m0/s1.
What are the key properties of (8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
(8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N,N,2,3-tetramethyl-8-(4-methylthiophen-3-yl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 15603110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).