N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide

C16H24N2O3S — CID 97351794

IUPACN,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide
SMILESC[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc2c(c1)N(C)CC2
InChIInChI=1S/C16H24N2O3S/c1-11(12(2)22(5,20)21)18(4)16(19)14-7-6-13-8-9-17(3)15(13)10-14/h6-7,10-12H,8-9H2,1-5H3/t11-,12+/m1/s1
InChIKeyKGHAMWDYYACRGG-NEPJUHHUSA-N
MW324.45 g/mol
LogP1.57
Rot. Bonds4

About N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide

N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide (PubChem CID 97351794) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide
PubChem CID97351794
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide
SMILESC[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc2c(c1)N(C)CC2
InChIInChI=1S/C16H24N2O3S/c1-11(12(2)22(5,20)21)18(4)16(19)14-7-6-13-8-9-17(3)15(13)10-14/h6-7,10-12H,8-9H2,1-5H3/t11-,12+/m1/s1
InChIKeyKGHAMWDYYACRGG-NEPJUHHUSA-N
XLogP1.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide with MolForge

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Related Compounds

N,N,1-trimethyl-2,3-dihydroindole-6-carboxamide
CID 134369280
2-[methyl-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119209230
1-ethyl-N,N-dimethyl-2,3-dihydroindole-6-carboxamide
CID 144672537
N-(2-hydroxyethyl)-N,1-dimethyl-2,3-dihydroindole-5-carboxamide
CID 110485469
2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid
CID 82392679
(2R)-2-(1-methyl-2,3-dihydroindole-6-carbonyl)-3-(1-methylimidazol-2-yl)-3-oxopropanenitrile
CID 100683838
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
CID 133062973
1,6-dimethyl-2,3-dihydroindole
CID 59833304
[(1S,2S)-2-methoxycyclopentyl] 1-methyl-2,3-dihydroindole-6-carboxylate
CID 99580291
N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-N-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)benzamide
CID 149361277
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide (CID 97351794) is N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide is C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc2c(c1)N(C)CC2.
What is the InChIKey of N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide?
The InChIKey is KGHAMWDYYACRGG-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11(12(2)22(5,20)21)18(4)16(19)14-7-6-13-8-9-17(3)15(13)10-14/h6-7,10-12H,8-9H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide?
N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 97351794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).