8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide

C22H23N3O2S — CID 71580968

IUPAC8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2ccccc2-c2[nH]c3ccc(NC(C)=O)cc3c21
InChIInChI=1S/C22H23N3O2S/c1-4-25(5-2)22(27)21-19-16-12-14(23-13(3)26)10-11-17(16)24-20(19)15-8-6-7-9-18(15)28-21/h6-12,21,24H,4-5H2,1-3H3,(H,23,26)
InChIKeyLBMZKDWYSYFNER-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.81
Rot. Bonds4

About 8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide

8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide (PubChem CID 71580968) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide.

Molecular Properties

Compound Name8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide
PubChem CID71580968
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide
SMILESCCN(CC)C(=O)C1Sc2ccccc2-c2[nH]c3ccc(NC(C)=O)cc3c21
InChIInChI=1S/C22H23N3O2S/c1-4-25(5-2)22(27)21-19-16-12-14(23-13(3)26)10-11-17(16)24-20(19)15-8-6-7-9-18(15)28-21/h6-12,21,24H,4-5H2,1-3H3,(H,23,26)
InChIKeyLBMZKDWYSYFNER-UHFFFAOYSA-N
XLogP4.81
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide?
The IUPAC name of 8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide (CID 71580968) is 8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide.
What is the SMILES notation for 8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide?
The canonical SMILES for 8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide is CCN(CC)C(=O)C1Sc2ccccc2-c2[nH]c3ccc(NC(C)=O)cc3c21.
What is the InChIKey of 8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide?
The InChIKey is LBMZKDWYSYFNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-4-25(5-2)22(27)21-19-16-12-14(23-13(3)26)10-11-17(16)24-20(19)15-8-6-7-9-18(15)28-21/h6-12,21,24H,4-5H2,1-3H3,(H,23,26).
What are the key properties of 8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide?
8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide is sourced from PubChem (CID 71580968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).