N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide

C20H26N2OS — CID 175072687

IUPACN-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
SMILESCCc1c(NC(=O)c2ccccc2)sc2c1CCN(C(C)(C)C)C2
InChIInChI=1S/C20H26N2OS/c1-5-15-16-11-12-22(20(2,3)4)13-17(16)24-19(15)21-18(23)14-9-7-6-8-10-14/h6-10H,5,11-13H2,1-4H3,(H,21,23)
InChIKeyWCZBPNRLVMWDEV-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.72
Rot. Bonds3

About N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide

N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide (PubChem CID 175072687) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
PubChem CID175072687
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
SMILESCCc1c(NC(=O)c2ccccc2)sc2c1CCN(C(C)(C)C)C2
InChIInChI=1S/C20H26N2OS/c1-5-15-16-11-12-22(20(2,3)4)13-17(16)24-19(15)21-18(23)14-9-7-6-8-10-14/h6-10H,5,11-13H2,1-4H3,(H,21,23)
InChIKeyWCZBPNRLVMWDEV-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 832523
6-benzyl-2-[(4-tert-butylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798239
2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798225
ethyl 6-benzyl-2-[(4-tert-butylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44973199
N-[3-[(methylideneamino)methyl]-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 163547420
2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861069
2-[(4-benzoylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4520692
N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1034327
6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28860971
N-[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 4107482
ethyl 6-benzyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 121023558
6-ethyl-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798261

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?
The IUPAC name of N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide (CID 175072687) is N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide.
What is the SMILES notation for N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?
The canonical SMILES for N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide is CCc1c(NC(=O)c2ccccc2)sc2c1CCN(C(C)(C)C)C2.
What is the InChIKey of N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?
The InChIKey is WCZBPNRLVMWDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-5-15-16-11-12-22(20(2,3)4)13-17(16)24-19(15)21-18(23)14-9-7-6-8-10-14/h6-10H,5,11-13H2,1-4H3,(H,21,23).
What are the key properties of N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?
N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide has a molecular weight of 342.51 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 175072687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).