2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide

C22H24N4O2S — CID 166221831

IUPAC2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(C(=O)N(C)Cc3ccc(C)cn3)s2)nc1
InChIInChI=1S/C22H24N4O2S/c1-15-5-7-17(23-11-15)13-25(3)21(27)19-9-10-20(29-19)22(28)26(4)14-18-8-6-16(2)12-24-18/h5-12H,13-14H2,1-4H3
InChIKeyVJCOUQNBILHIDI-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.70
Rot. Bonds6

About 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide

2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide (PubChem CID 166221831) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide
PubChem CID166221831
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(C(=O)N(C)Cc3ccc(C)cn3)s2)nc1
InChIInChI=1S/C22H24N4O2S/c1-15-5-7-17(23-11-15)13-25(3)21(27)19-9-10-20(29-19)22(28)26(4)14-18-8-6-16(2)12-24-18/h5-12H,13-14H2,1-4H3
InChIKeyVJCOUQNBILHIDI-UHFFFAOYSA-N
XLogP3.70
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide (CID 166221831) is 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide is Cc1ccc(CN(C)C(=O)c2ccc(C(=O)N(C)Cc3ccc(C)cn3)s2)nc1.
What is the InChIKey of 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide?
The InChIKey is VJCOUQNBILHIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-15-5-7-17(23-11-15)13-25(3)21(27)19-9-10-20(29-19)22(28)26(4)14-18-8-6-16(2)12-24-18/h5-12H,13-14H2,1-4H3.
What are the key properties of 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide?
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 166221831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).