2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

C21H28N3O2S+ — CID 7177264

IUPAC2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
SMILESCc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)c(C)c1
InChIInChI=1S/C21H27N3O2S/c1-11-7-8-13(12(2)9-11)18(26)23-19-15(17(22)25)14-10-20(3,4)24-21(5,6)16(14)27-19/h7-9,24H,10H2,1-6H3,(H2,22,25)(H,23,26)/p+1
InChIKeyKWYJTLAXKGMBMY-UHFFFAOYSA-O
MW386.54 g/mol
LogP2.85
Rot. Bonds3

About 2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide (PubChem CID 7177264) has the molecular formula C21H28N3O2S+ and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
PubChem CID7177264
Molecular FormulaC21H28N3O2S+
Molecular Weight386.54 g/mol
Exact Mass386.19
IUPAC Name2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
SMILESCc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)c(C)c1
InChIInChI=1S/C21H27N3O2S/c1-11-7-8-13(12(2)9-11)18(26)23-19-15(17(22)25)14-10-20(3,4)24-21(5,6)16(14)27-19/h7-9,24H,10H2,1-6H3,(H2,22,25)(H,23,26)/p+1
InChIKeyKWYJTLAXKGMBMY-UHFFFAOYSA-O
XLogP2.85
TPSA88.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide with MolForge

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Related Compounds

2-[(4-ethoxybenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 7163926
2-(1,3-benzothiazole-6-carbonylamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 7163930
2-(1,3-benzothiazole-2-carbonylamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 7163921
ethyl 2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4617667
2-[(2,4-dimethylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5167873
5,5,7,7-tetramethyl-2-(3-phenoxypropanoylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 7166727
ethyl 2-[(3-fluorobenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7163952
ethyl 5,5,7,7-tetramethyl-2-(thiophene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 7163954
ethyl 2-[(2-chloroacetyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 2404792
ethyl 5,5,7,7-tetramethyl-2-(propan-2-ylcarbamothioylamino)-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxylate
CID 8624512
methyl 4-[(3-carbamoyl-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)carbamoyl]benzoate
CID 3663157
4-bromo-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)benzamide
CID 7163966

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide?
The IUPAC name of 2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide (CID 7177264) is 2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide?
The canonical SMILES for 2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide is Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide?
The InChIKey is KWYJTLAXKGMBMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H27N3O2S/c1-11-7-8-13(12(2)9-11)18(26)23-19-15(17(22)25)14-10-20(3,4)24-21(5,6)16(14)27-19/h7-9,24H,10H2,1-6H3,(H2,22,25)(H,23,26)/p+1.
What are the key properties of 2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide?
2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-3-carboxamide is sourced from PubChem (CID 7177264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).