N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

C18H20N2O3S — CID 110781515

IUPACN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C18H20N2O3S/c1-13-5-3-4-6-15(13)12-24(22,23)19-11-14-7-8-17-16(9-14)10-18(21)20(17)2/h3-9,19H,10-12H2,1-2H3
InChIKeyYMIOCKLSKJJQQW-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.13
Rot. Bonds5

About N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110781515) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110781515
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C18H20N2O3S/c1-13-5-3-4-6-15(13)12-24(22,23)19-11-14-7-8-17-16(9-14)10-18(21)20(17)2/h3-9,19H,10-12H2,1-2H3
InChIKeyYMIOCKLSKJJQQW-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 41342513
1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide
CID 110781518
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide
CID 110781511
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
1-(2-methylphenyl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]methanesulfonamide
CID 110738581
1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 56787526
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119574
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one
CID 115258520
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]butane-1-sulfonamide
CID 110788593

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (CID 110781515) is N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is YMIOCKLSKJJQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-5-3-4-6-15(13)12-24(22,23)19-11-14-7-8-17-16(9-14)10-18(21)20(17)2/h3-9,19H,10-12H2,1-2H3.
What are the key properties of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110781515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).