N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide

C20H23ClN2O3S — CID 132662896

IUPACN-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide
SMILESCCC(C(=O)N1CCc2ccccc21)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H23ClN2O3S/c1-4-18(20(24)22-12-11-15-7-5-6-8-19(15)22)23(27(3,25)26)16-10-9-14(2)17(21)13-16/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyKSBVNSLKYPVVCG-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.78
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide

N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide (PubChem CID 132662896) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide
PubChem CID132662896
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide
SMILESCCC(C(=O)N1CCc2ccccc21)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H23ClN2O3S/c1-4-18(20(24)22-12-11-15-7-5-6-8-19(15)22)23(27(3,25)26)16-10-9-14(2)17(21)13-16/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyKSBVNSLKYPVVCG-UHFFFAOYSA-N
XLogP3.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]methanesulfonamide
CID 132667564
N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide
CID 132663427
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylbutanamide
CID 132664767
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133166298
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(3-fluorophenyl)methanesulfonamide
CID 132654483
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-yl)butanamide
CID 132671099
(2R)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]butanamide
CID 125074613
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 132663846
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide
CID 132667588
N-(3-chloro-4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)methanesulfonamide
CID 50947033
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]butanamide
CID 132663369
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 132664033

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide (CID 132662896) is N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide is CCC(C(=O)N1CCc2ccccc21)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide?
The InChIKey is KSBVNSLKYPVVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-4-18(20(24)22-12-11-15-7-5-6-8-19(15)22)23(27(3,25)26)16-10-9-14(2)17(21)13-16/h5-10,13,18H,4,11-12H2,1-3H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide?
N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide has a molecular weight of 406.94 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide is sourced from PubChem (CID 132662896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).