dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

C19H25NO4S — CID 1116476

IUPACdipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2cccs2)C(C(=O)OC(C)C)=C(C)N1
InChIInChI=1S/C19H25NO4S/c1-10(2)23-18(21)15-12(5)20-13(6)16(19(22)24-11(3)4)17(15)14-8-7-9-25-14/h7-11,17,20H,1-6H3
InChIKeyKNKSUPJXMOAWAC-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.89
Rot. Bonds5

About dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 1116476) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID1116476
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Namedipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2cccs2)C(C(=O)OC(C)C)=C(C)N1
InChIInChI=1S/C19H25NO4S/c1-10(2)23-18(21)15-12(5)20-13(6)16(19(22)24-11(3)4)17(15)14-8-7-9-25-14/h7-11,17,20H,1-6H3
InChIKeyKNKSUPJXMOAWAC-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate (CID 1116476) is dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate is CC1=C(C(=O)OC(C)C)C(c2cccs2)C(C(=O)OC(C)C)=C(C)N1.
What is the InChIKey of dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is KNKSUPJXMOAWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-10(2)23-18(21)15-12(5)20-13(6)16(19(22)24-11(3)4)17(15)14-8-7-9-25-14/h7-11,17,20H,1-6H3.
What are the key properties of dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 363.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 1116476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).