(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide

C22H26FN3O4S — CID 92671284

IUPAC(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide
SMILESC[C@H]1Cc2cc(C(=O)NCCN3CCOCC3)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O4S/c1-16-14-18-15-17(22(27)24-8-9-25-10-12-30-13-11-25)2-7-21(18)26(16)31(28,29)20-5-3-19(23)4-6-20/h2-7,15-16H,8-14H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyBFPGMVKDBLSHDS-INIZCTEOSA-N
MW447.53 g/mol
LogP2.03
Rot. Bonds6

About (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide

(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 92671284) has the molecular formula C22H26FN3O4S and a molecular weight of 447.53 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide
PubChem CID92671284
Molecular FormulaC22H26FN3O4S
Molecular Weight447.53 g/mol
Exact Mass447.16
IUPAC Name(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide
SMILESC[C@H]1Cc2cc(C(=O)NCCN3CCOCC3)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O4S/c1-16-14-18-15-17(22(27)24-8-9-25-10-12-30-13-11-25)2-7-21(18)26(16)31(28,29)20-5-3-19(23)4-6-20/h2-7,15-16H,8-14H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyBFPGMVKDBLSHDS-INIZCTEOSA-N
XLogP2.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671089
(2S)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671088
(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide
CID 92671126
(2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671105
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671162
(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 93156133
(2S)-1-(4-chlorophenyl)sulfonyl-2-methyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 92670690
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210497
(2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671274
(2R)-N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671140
(2R)-N-(3-bromophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671170
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 34999302

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide (CID 92671284) is (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide is C[C@H]1Cc2cc(C(=O)NCCN3CCOCC3)ccc2N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is BFPGMVKDBLSHDS-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26FN3O4S/c1-16-14-18-15-17(22(27)24-8-9-25-10-12-30-13-11-25)2-7-21(18)26(16)31(28,29)20-5-3-19(23)4-6-20/h2-7,15-16H,8-14H2,1H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide?
(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 447.53 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 92671284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).