(2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide

C23H27N3O5S — CID 92710593

IUPAC(2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C23H27N3O5S/c1-17(27)26-21-9-8-20(32(29,30)25-10-12-31-13-11-25)14-19(21)15-22(26)23(28)24(2)16-18-6-4-3-5-7-18/h3-9,14,22H,10-13,15-16H2,1-2H3/t22-/m1/s1
InChIKeyJVSVFTGSLMKMCH-JOCHJYFZSA-N
MW457.55 g/mol
LogP1.64
Rot. Bonds5

About (2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide

(2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 92710593) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is (2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
PubChem CID92710593
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name(2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C23H27N3O5S/c1-17(27)26-21-9-8-20(32(29,30)25-10-12-31-13-11-25)14-19(21)15-22(26)23(28)24(2)16-18-6-4-3-5-7-18/h3-9,14,22H,10-13,15-16H2,1-2H3/t22-/m1/s1
InChIKeyJVSVFTGSLMKMCH-JOCHJYFZSA-N
XLogP1.64
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide with MolForge

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Related Compounds

(2S)-1-acetyl-N-[2-[benzyl(methyl)amino]ethyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710486
1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 20888370
1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide
CID 20956655
1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956683
1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956667
1-acetyl-N-(2-morpholin-4-ylethyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956465
N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 9336448
(2S)-1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710601
1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 92687752
(2S)-1-acetyl-5-(azepan-1-ylsulfonyl)-N-[(1R)-1-phenylethyl]-2,3-dihydroindole-2-carboxamide
CID 92701215
(2R)-1-acetyl-5-(azepan-1-ylsulfonyl)-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-2-carboxamide
CID 92701218
1-acetyl-N-[(3-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956401

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide (CID 92710593) is (2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of (2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is JVSVFTGSLMKMCH-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-17(27)26-21-9-8-20(32(29,30)25-10-12-31-13-11-25)14-19(21)15-22(26)23(28)24(2)16-18-6-4-3-5-7-18/h3-9,14,22H,10-13,15-16H2,1-2H3/t22-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
(2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 92710593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).