N-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C24H24N2O3S — CID 46879283

IUPACN-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H24N2O3S/c1-18-17-24(25(19(2)27)20-11-5-3-6-12-20)22-15-9-10-16-23(22)26(18)30(28,29)21-13-7-4-8-14-21/h3-16,18,24H,17H2,1-2H3
InChIKeyVSEQHQHTFSCJDD-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.77
Rot. Bonds4

About N-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 46879283) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID46879283
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H24N2O3S/c1-18-17-24(25(19(2)27)20-11-5-3-6-12-20)22-15-9-10-16-23(22)26(18)30(28,29)21-13-7-4-8-14-21/h3-16,18,24H,17H2,1-2H3
InChIKeyVSEQHQHTFSCJDD-UHFFFAOYSA-N
XLogP4.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 46879283) is N-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CC(C)N(S(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is VSEQHQHTFSCJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-18-17-24(25(19(2)27)20-11-5-3-6-12-20)22-15-9-10-16-23(22)26(18)30(28,29)21-13-7-4-8-14-21/h3-16,18,24H,17H2,1-2H3.
What are the key properties of N-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 420.53 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 46879283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).