N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

C22H24N4O2S2 — CID 24504496

IUPACN-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCC1c2ccsc2CCN1C(=O)c1ccc(NC(=O)CSc2nccn2C)cc1
InChIInChI=1S/C22H24N4O2S2/c1-3-18-17-9-13-29-19(17)8-11-26(18)21(28)15-4-6-16(7-5-15)24-20(27)14-30-22-23-10-12-25(22)2/h4-7,9-10,12-13,18H,3,8,11,14H2,1-2H3,(H,24,27)
InChIKeyRWCAIQSKOBYNQY-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.36
Rot. Bonds6

About N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 24504496) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID24504496
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC NameN-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCC1c2ccsc2CCN1C(=O)c1ccc(NC(=O)CSc2nccn2C)cc1
InChIInChI=1S/C22H24N4O2S2/c1-3-18-17-9-13-29-19(17)8-11-26(18)21(28)15-4-6-16(7-5-15)24-20(27)14-30-22-23-10-12-25(22)2/h4-7,9-10,12-13,18H,3,8,11,14H2,1-2H3,(H,24,27)
InChIKeyRWCAIQSKOBYNQY-UHFFFAOYSA-N
XLogP4.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 24504496) is N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is CCC1c2ccsc2CCN1C(=O)c1ccc(NC(=O)CSc2nccn2C)cc1.
What is the InChIKey of N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is RWCAIQSKOBYNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-3-18-17-9-13-29-19(17)8-11-26(18)21(28)15-4-6-16(7-5-15)24-20(27)14-30-22-23-10-12-25(22)2/h4-7,9-10,12-13,18H,3,8,11,14H2,1-2H3,(H,24,27).
What are the key properties of N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 440.59 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 24504496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).