(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide

C17H18N2O3S — CID 9186065

IUPAC(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc21
InChIInChI=1S/C17H18N2O3S/c1-12-15-11-14(7-8-16(15)19-17(12)20)23(21,22)18-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyWPRPPYFRBDBOOW-GFCCVEGCSA-N
MW330.41 g/mol
LogP2.26
Rot. Bonds5

About (3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide

(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide (PubChem CID 9186065) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide
PubChem CID9186065
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc21
InChIInChI=1S/C17H18N2O3S/c1-12-15-11-14(7-8-16(15)19-17(12)20)23(21,22)18-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyWPRPPYFRBDBOOW-GFCCVEGCSA-N
XLogP2.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188688
N-[2-(4-chlorophenyl)ethyl]-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22516487
(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186449
(3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9187706
2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 66165853
(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186876
N-methyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]acetamide
CID 9189795
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9031927
(3S)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9190141
(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9125333
(3R)-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188900
(3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9186077

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide (CID 9186065) is (3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide is C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc21.
What is the InChIKey of (3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide?
The InChIKey is WPRPPYFRBDBOOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-15-11-14(7-8-16(15)19-17(12)20)23(21,22)18-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide?
(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9186065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).