5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C19H24N2OS — CID 43016715

IUPAC5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCc1cccnc1NC(=O)c1cc2c(s1)CCC(C(C)(C)C)C2
InChIInChI=1S/C19H24N2OS/c1-12-6-5-9-20-17(12)21-18(22)16-11-13-10-14(19(2,3)4)7-8-15(13)23-16/h5-6,9,11,14H,7-8,10H2,1-4H3,(H,20,21,22)
InChIKeyKLDAPKODEDAXSJ-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.85
Rot. Bonds2

About 5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 43016715) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID43016715
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCc1cccnc1NC(=O)c1cc2c(s1)CCC(C(C)(C)C)C2
InChIInChI=1S/C19H24N2OS/c1-12-6-5-9-20-17(12)21-18(22)16-11-13-10-14(19(2,3)4)7-8-15(13)23-16/h5-6,9,11,14H,7-8,10H2,1-4H3,(H,20,21,22)
InChIKeyKLDAPKODEDAXSJ-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

Tak-715
CID 9952773
7-Amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 25218756
N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
3-methyl-N-(5-methylpyridin-2-yl)thiophene-2-carboxamide
CID 24686059
3-chloro-N-(pyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 805019
6-methyl-5-phenyl-2-(pyridin-3-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 852962
3-chloro-4-fluoro-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
CID 1244206
6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2106365
2-(2,2-dimethylpropanoylamino)-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2174274
6-methyl-N-2-pyridinyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970481
3-chloro-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 4557860
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 43016715) is 5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is Cc1cccnc1NC(=O)c1cc2c(s1)CCC(C(C)(C)C)C2.
What is the InChIKey of 5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is KLDAPKODEDAXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-12-6-5-9-20-17(12)21-18(22)16-11-13-10-14(19(2,3)4)7-8-15(13)23-16/h5-6,9,11,14H,7-8,10H2,1-4H3,(H,20,21,22).
What are the key properties of 5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(3-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 43016715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).