3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide

C27H31N3O4S — CID 25161886

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)N(C)C
InChIInChI=1S/C27H31N3O4S/c1-29(2)25(23-14-5-7-16-26(23)34-3)19-28-27(31)21-11-8-13-22(18-21)35(32,33)30-17-9-12-20-10-4-6-15-24(20)30/h4-8,10-11,13-16,18,25H,9,12,17,19H2,1-3H3,(H,28,31)
InChIKeyMWVPFJYFJVCZGV-UHFFFAOYSA-N
MW493.63 g/mol
LogP3.87
Rot. Bonds8

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 25161886) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID25161886
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)N(C)C
InChIInChI=1S/C27H31N3O4S/c1-29(2)25(23-14-5-7-16-26(23)34-3)19-28-27(31)21-11-8-13-22(18-21)35(32,33)30-17-9-12-20-10-4-6-15-24(20)30/h4-8,10-11,13-16,18,25H,9,12,17,19H2,1-3H3,(H,28,31)
InChIKeyMWVPFJYFJVCZGV-UHFFFAOYSA-N
XLogP3.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide 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 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide (CID 25161886) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1C(CNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)N(C)C.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is MWVPFJYFJVCZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-29(2)25(23-14-5-7-16-26(23)34-3)19-28-27(31)21-11-8-13-22(18-21)35(32,33)30-17-9-12-20-10-4-6-15-24(20)30/h4-8,10-11,13-16,18,25H,9,12,17,19H2,1-3H3,(H,28,31).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 493.63 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 25161886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).