(2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C18H16F2N2O4S — CID 41231276

IUPAC(2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H16F2N2O4S/c1-21-16(23)14-10-11-6-2-4-8-13(11)22(14)17(24)12-7-3-5-9-15(12)27(25,26)18(19)20/h2-9,14,18H,10H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyGLQSHAQNNSRMFQ-AWEZNQCLSA-N
MW394.40 g/mol
LogP2.00
Rot. Bonds4

About (2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide

(2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 41231276) has the molecular formula C18H16F2N2O4S and a molecular weight of 394.40 g/mol. Its IUPAC name is (2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID41231276
Molecular FormulaC18H16F2N2O4S
Molecular Weight394.40 g/mol
Exact Mass394.08
IUPAC Name(2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H16F2N2O4S/c1-21-16(23)14-10-11-6-2-4-8-13(11)22(14)17(24)12-7-3-5-9-15(12)27(25,26)18(19)20/h2-9,14,18H,10H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyGLQSHAQNNSRMFQ-AWEZNQCLSA-N
XLogP2.00
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587995
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
(2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428990
1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 138051195
(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428952
(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428965
(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232413
(2R)-N-methyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41428946
(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429031
1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196844

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 41231276) is (2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of (2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is GLQSHAQNNSRMFQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16F2N2O4S/c1-21-16(23)14-10-11-6-2-4-8-13(11)22(14)17(24)12-7-3-5-9-15(12)27(25,26)18(19)20/h2-9,14,18H,10H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 41231276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).