N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide

C23H26N2O3S — CID 122457011

IUPACN-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C2CC2C2CC2)cc1
InChIInChI=1S/C23H26N2O3S/c1-15-2-4-16(5-3-15)14-29(27,28)24-19-9-10-21-18(12-19)8-11-23(26)25(21)22-13-20(22)17-6-7-17/h2-5,9-10,12,17,20,22,24H,6-8,11,13-14H2,1H3
InChIKeyWDPICJMWDVEPOX-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.01
Rot. Bonds6

About N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide

N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 122457011) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID122457011
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C2CC2C2CC2)cc1
InChIInChI=1S/C23H26N2O3S/c1-15-2-4-16(5-3-15)14-29(27,28)24-19-9-10-21-18(12-19)8-11-23(26)25(21)22-13-20(22)17-6-7-17/h2-5,9-10,12,17,20,22,24H,6-8,11,13-14H2,1H3
InChIKeyWDPICJMWDVEPOX-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 112506000
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 40889539
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 40889537
N-(1-ethyl-8-ethynyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide
CID 126636851
1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide
CID 41342565
1-(4-methylphenyl)-N-(7-oxo-6-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-2-yl)methanesulfonamide
CID 123422201
N-(8-ethynyl-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide
CID 126636852
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide
CID 42448641
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-(4-methylphenyl)methanesulfonamide
CID 110778162
1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342517
1-(3,5-difluorophenyl)-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide
CID 71842852
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 135192185

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide (CID 122457011) is N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C2CC2C2CC2)cc1.
What is the InChIKey of N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is WDPICJMWDVEPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-15-2-4-16(5-3-15)14-29(27,28)24-19-9-10-21-18(12-19)8-11-23(26)25(21)22-13-20(22)17-6-7-17/h2-5,9-10,12,17,20,22,24H,6-8,11,13-14H2,1H3.
What are the key properties of N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide?
N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 122457011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).