4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide

C15H16N2OS — CID 2766133

IUPAC4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide
SMILESCCCNC(=O)c1cc2c3ccccc3n(C)c2s1
InChIInChI=1S/C15H16N2OS/c1-3-8-16-14(18)13-9-11-10-6-4-5-7-12(10)17(2)15(11)19-13/h4-7,9H,3,8H2,1-2H3,(H,16,18)
InChIKeyDVVSWCJQIZPQLE-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.53
Rot. Bonds3

About 4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide

4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide (PubChem CID 2766133) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide
PubChem CID2766133
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide
SMILESCCCNC(=O)c1cc2c3ccccc3n(C)c2s1
InChIInChI=1S/C15H16N2OS/c1-3-8-16-14(18)13-9-11-10-6-4-5-7-12(10)17(2)15(11)19-13/h4-7,9H,3,8H2,1-2H3,(H,16,18)
InChIKeyDVVSWCJQIZPQLE-UHFFFAOYSA-N
XLogP3.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2090061
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CID 2766139
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CID 3245460
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CID 4361101
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CID 6622499
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CID 42749430
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CID 53357396
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide?
The IUPAC name of 4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide (CID 2766133) is 4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide?
The canonical SMILES for 4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide is CCCNC(=O)c1cc2c3ccccc3n(C)c2s1.
What is the InChIKey of 4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide?
The InChIKey is DVVSWCJQIZPQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-3-8-16-14(18)13-9-11-10-6-4-5-7-12(10)17(2)15(11)19-13/h4-7,9H,3,8H2,1-2H3,(H,16,18).
What are the key properties of 4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide?
4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propylthieno[2,3-b]indole-2-carboxamide is sourced from PubChem (CID 2766133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).