4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid

C16H21NO4S — CID 67300957

IUPAC4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid
SMILESCC1OCc2sc(NC(=O)C3C(C)(C)C3(C)C)c(C(=O)O)c21
InChIInChI=1S/C16H21NO4S/c1-7-9-8(6-21-7)22-13(10(9)14(19)20)17-12(18)11-15(2,3)16(11,4)5/h7,11H,6H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyDVVYIBADIVQQOR-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.66
Rot. Bonds3

About 4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid

4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid (PubChem CID 67300957) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is 4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid
PubChem CID67300957
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC Name4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid
SMILESCC1OCc2sc(NC(=O)C3C(C)(C)C3(C)C)c(C(=O)O)c21
InChIInChI=1S/C16H21NO4S/c1-7-9-8(6-21-7)22-13(10(9)14(19)20)17-12(18)11-15(2,3)16(11,4)5/h7,11H,6H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyDVVYIBADIVQQOR-UHFFFAOYSA-N
XLogP3.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 68906817
N-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 68909831
N-(4-chlorophenyl)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxamide
CID 142393497
N-[3-(azetidine-1-carbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 24772155
N-[3-(cyclopropanecarbonyl)-4-methyl-4,6-dihydrothieno[2,3-c]furan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 24772158
N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68910178
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 107000334
N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68905692
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
N-butyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 68904040
N-(5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 141226960
ethyl 4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylate
CID 903505

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid?
The IUPAC name of 4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid (CID 67300957) is 4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid is CC1OCc2sc(NC(=O)C3C(C)(C)C3(C)C)c(C(=O)O)c21.
What is the InChIKey of 4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid?
The InChIKey is DVVYIBADIVQQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-7-9-8(6-21-7)22-13(10(9)14(19)20)17-12(18)11-15(2,3)16(11,4)5/h7,11H,6H2,1-5H3,(H,17,18)(H,19,20).
What are the key properties of 4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid?
4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid has a molecular weight of 323.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]furan-3-carboxylic acid is sourced from PubChem (CID 67300957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).