4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide

C33H30N4O5S — CID 68887603

IUPAC4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1ccc2ncccc2c1
InChIInChI=1S/C33H30N4O5S/c38-32(35-22-27-14-8-20-42-27)30-23-36(33(39)31(24-9-3-1-4-10-24)25-11-5-2-6-12-25)18-19-37(30)43(40,41)28-15-16-29-26(21-28)13-7-17-34-29/h1-17,20-21,30-31H,18-19,22-23H2,(H,35,38)
InChIKeyGKHZNZIAOLYRKD-UHFFFAOYSA-N
MW594.69 g/mol
LogP4.18
Rot. Bonds8

About 4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide

4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide (PubChem CID 68887603) has the molecular formula C33H30N4O5S and a molecular weight of 594.69 g/mol. Its IUPAC name is 4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide
PubChem CID68887603
Molecular FormulaC33H30N4O5S
Molecular Weight594.69 g/mol
Exact Mass594.19
IUPAC Name4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1ccc2ncccc2c1
InChIInChI=1S/C33H30N4O5S/c38-32(35-22-27-14-8-20-42-27)30-23-36(33(39)31(24-9-3-1-4-10-24)25-11-5-2-6-12-25)18-19-37(30)43(40,41)28-15-16-29-26(21-28)13-7-17-34-29/h1-17,20-21,30-31H,18-19,22-23H2,(H,35,38)
InChIKeyGKHZNZIAOLYRKD-UHFFFAOYSA-N
XLogP4.18
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.69
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide?
The IUPAC name of 4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide (CID 68887603) is 4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for 4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for 4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide is O=C(NCc1ccco1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1ccc2ncccc2c1.
What is the InChIKey of 4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide?
The InChIKey is GKHZNZIAOLYRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4O5S/c38-32(35-22-27-14-8-20-42-27)30-23-36(33(39)31(24-9-3-1-4-10-24)25-11-5-2-6-12-25)18-19-37(30)43(40,41)28-15-16-29-26(21-28)13-7-17-34-29/h1-17,20-21,30-31H,18-19,22-23H2,(H,35,38).
What are the key properties of 4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide?
4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide has a molecular weight of 594.69 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylacetyl)-N-(furan-2-ylmethyl)-1-quinolin-6-ylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 68887603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).