N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide

C19H22N2O3S — CID 125057224

IUPACN-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
SMILESC[C@H]1Cc2ccccc2N1C(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C19H22N2O3S/c1-14-13-16-11-7-8-12-17(16)21(14)19(22)18(20(2)25(3,23)24)15-9-5-4-6-10-15/h4-12,14,18H,13H2,1-3H3/t14-,18-/m0/s1
InChIKeyBUZJXIJCYKZDIK-KSSFIOAISA-N
MW358.46 g/mol
LogP2.60
Rot. Bonds4

About N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide

N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide (PubChem CID 125057224) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
PubChem CID125057224
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
SMILESC[C@H]1Cc2ccccc2N1C(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C19H22N2O3S/c1-14-13-16-11-7-8-12-17(16)21(14)19(22)18(20(2)25(3,23)24)15-9-5-4-6-10-15/h4-12,14,18H,13H2,1-3H3/t14-,18-/m0/s1
InChIKeyBUZJXIJCYKZDIK-KSSFIOAISA-N
XLogP2.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133262206
(2R)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100674924
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide
CID 125054281
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
(2R)-2-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 79011425
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 133184784
2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2098844
(E)-2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobut-2-enoic acid
CID 82335553
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-pyridin-4-ylsulfanylpropan-1-one
CID 97024890
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide (CID 125057224) is N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide is C[C@H]1Cc2ccccc2N1C(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide?
The InChIKey is BUZJXIJCYKZDIK-KSSFIOAISA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-13-16-11-7-8-12-17(16)21(14)19(22)18(20(2)25(3,23)24)15-9-5-4-6-10-15/h4-12,14,18H,13H2,1-3H3/t14-,18-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide?
N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide is sourced from PubChem (CID 125057224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).