propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate

C17H20N2O3S — CID 17173909

IUPACpropan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
SMILESCC(C)OC(=O)c1cc(C(C)C)sc1NC(=O)c1cccnc1
InChIInChI=1S/C17H20N2O3S/c1-10(2)14-8-13(17(21)22-11(3)4)16(23-14)19-15(20)12-6-5-7-18-9-12/h5-11H,1-4H3,(H,19,20)
InChIKeyLDEXCPCDMOUZOA-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.08
Rot. Bonds5

About propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate

propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate (PubChem CID 17173909) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
PubChem CID17173909
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Namepropan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
SMILESCC(C)OC(=O)c1cc(C(C)C)sc1NC(=O)c1cccnc1
InChIInChI=1S/C17H20N2O3S/c1-10(2)14-8-13(17(21)22-11(3)4)16(23-14)19-15(20)12-6-5-7-18-9-12/h5-11H,1-4H3,(H,19,20)
InChIKeyLDEXCPCDMOUZOA-UHFFFAOYSA-N
XLogP4.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 28858736
5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide
CID 25237024
ethyl 2-[(4-methylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
CID 46094798
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
CID 1225483
dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate
CID 896695
3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033552
2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide
CID 140998444
N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide
CID 39162703
N-propan-2-yloxypyridine-3-carboxamide;hydrochloride
CID 3028390
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate (CID 17173909) is propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate is CC(C)OC(=O)c1cc(C(C)C)sc1NC(=O)c1cccnc1.
What is the InChIKey of propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
The InChIKey is LDEXCPCDMOUZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-10(2)14-8-13(17(21)22-11(3)4)16(23-14)19-15(20)12-6-5-7-18-9-12/h5-11H,1-4H3,(H,19,20).
What are the key properties of propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate has a molecular weight of 332.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 17173909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).