(2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide

C20H24N2O4S — CID 30236152

IUPAC(2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-4-11-26-19-8-6-5-7-17(19)21-20(23)15-9-10-18-16(13-15)12-14(2)22(18)27(3,24)25/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyWNQKZIIHMXXGEC-AWEZNQCLSA-N
MW388.49 g/mol
LogP3.44
Rot. Bonds6

About (2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide

(2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 30236152) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
PubChem CID30236152
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-4-11-26-19-8-6-5-7-17(19)21-20(23)15-9-10-18-16(13-15)12-14(2)22(18)27(3,24)25/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyWNQKZIIHMXXGEC-AWEZNQCLSA-N
XLogP3.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-ethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603014
(2R)-2-methyl-1-methylsulfonyl-N-naphthalen-1-yl-2,3-dihydroindole-5-carboxamide
CID 41452595
2-methyl-1-methylsulfonyl-N-(2-methylsulfonylphenyl)-2,3-dihydroindole-5-carboxamide
CID 55474873
N-(2-fluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 17464594
1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 30236141
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2R)-N-(3,4-diethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 42091062
methyl 2-hydroxy-3-[(2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 56543155
[2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 9064083
N-(5-chloro-2-phenoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 16561917
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55466716
(2R)-N-(3,5-dimethoxyphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 33142626

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide (CID 30236152) is (2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide is CCCOc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O.
What is the InChIKey of (2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is WNQKZIIHMXXGEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-11-26-19-8-6-5-7-17(19)21-20(23)15-9-10-18-16(13-15)12-14(2)22(18)27(3,24)25/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide?
(2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 30236152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).