(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide

C17H20N2O3S2 — CID 27754729

IUPAC(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)N[C@H](C)c3cccs3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C17H20N2O3S2/c1-11-9-14-10-13(6-7-15(14)19(11)24(3,21)22)17(20)18-12(2)16-5-4-8-23-16/h4-8,10-12H,9H2,1-3H3,(H,18,20)/t11-,12-/m1/s1
InChIKeyRSNCTDMVXJOULN-VXGBXAGGSA-N
MW364.49 g/mol
LogP2.95
Rot. Bonds4

About (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide

(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 27754729) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
PubChem CID27754729
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)N[C@H](C)c3cccs3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C17H20N2O3S2/c1-11-9-14-10-13(6-7-15(14)19(11)24(3,21)22)17(20)18-12(2)16-5-4-8-23-16/h4-8,10-12H,9H2,1-3H3,(H,18,20)/t11-,12-/m1/s1
InChIKeyRSNCTDMVXJOULN-VXGBXAGGSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46821100
2-methyl-1-methylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43906863
(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 30464060
(2S)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 27784766
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140
2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide
CID 55977225
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
(2S)-N-[(1R)-1-(4-chlorophenyl)propyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41490223
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 78808921
2-methyl-1-methylsulfonyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 86970996
N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55683149

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide (CID 27754729) is (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide is C[C@@H]1Cc2cc(C(=O)N[C@H](C)c3cccs3)ccc2N1S(C)(=O)=O.
What is the InChIKey of (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is RSNCTDMVXJOULN-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-11-9-14-10-13(6-7-15(14)19(11)24(3,21)22)17(20)18-12(2)16-5-4-8-23-16/h4-8,10-12H,9H2,1-3H3,(H,18,20)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide?
(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 27754729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).