5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide

C23H24N4O4S — CID 53377428

IUPAC5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc(OC)cc(OC)c4)n3)ccc21
InChIInChI=1S/C23H24N4O4S/c1-4-24-23(29)27-8-7-15-9-14(5-6-20(15)27)19-13-32-22(25-19)26-21(28)16-10-17(30-2)12-18(11-16)31-3/h5-6,9-13H,4,7-8H2,1-3H3,(H,24,29)(H,25,26,28)
InChIKeyMMQXYOUNCBKSOO-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.17
Rot. Bonds6

About 5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide

5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide (PubChem CID 53377428) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide
PubChem CID53377428
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc(OC)cc(OC)c4)n3)ccc21
InChIInChI=1S/C23H24N4O4S/c1-4-24-23(29)27-8-7-15-9-14(5-6-20(15)27)19-13-32-22(25-19)26-21(28)16-10-17(30-2)12-18(11-16)31-3/h5-6,9-13H,4,7-8H2,1-3H3,(H,24,29)(H,25,26,28)
InChIKeyMMQXYOUNCBKSOO-UHFFFAOYSA-N
XLogP4.17
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide (CID 53377428) is 5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide is CCNC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc(OC)cc(OC)c4)n3)ccc21.
What is the InChIKey of 5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is MMQXYOUNCBKSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-4-24-23(29)27-8-7-15-9-14(5-6-20(15)27)19-13-32-22(25-19)26-21(28)16-10-17(30-2)12-18(11-16)31-3/h5-6,9-13H,4,7-8H2,1-3H3,(H,24,29)(H,25,26,28).
What are the key properties of 5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide?
5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 53377428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).