(2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

C23H26N4O5S — CID 92710467

IUPAC(2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2Cc3cc(S(=O)(=O)N4CCCC4)ccc3N2C(C)=O)cc1
InChIInChI=1S/C23H26N4O5S/c1-15(28)24-18-5-7-19(8-6-18)25-23(30)22-14-17-13-20(9-10-21(17)27(22)16(2)29)33(31,32)26-11-3-4-12-26/h5-10,13,22H,3-4,11-12,14H2,1-2H3,(H,24,28)(H,25,30)/t22-/m1/s1
InChIKeySUPJCRFWHJCDEM-JOCHJYFZSA-N
MW470.55 g/mol
LogP2.35
Rot. Bonds5

About (2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

(2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 92710467) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
PubChem CID92710467
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name(2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2Cc3cc(S(=O)(=O)N4CCCC4)ccc3N2C(C)=O)cc1
InChIInChI=1S/C23H26N4O5S/c1-15(28)24-18-5-7-19(8-6-18)25-23(30)22-14-17-13-20(9-10-21(17)27(22)16(2)29)33(31,32)26-11-3-4-12-26/h5-10,13,22H,3-4,11-12,14H2,1-2H3,(H,24,28)(H,25,30)/t22-/m1/s1
InChIKeySUPJCRFWHJCDEM-JOCHJYFZSA-N
XLogP2.35
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(4-methylphenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956590
1-acetyl-N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956431
1-acetyl-N-(3-methylphenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956591
1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956438
1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 20888370
1-acetyl-N-(2-fluorophenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956540
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956578
(2S)-1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710579
(2S)-1-acetyl-N-[4-(diethylamino)-2-methylphenyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710468
1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 46344526
(2R)-1-acetyl-5-(azepan-1-ylsulfonyl)-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-2-carboxamide
CID 92701218
(2S)-1-acetyl-5-(azepan-1-ylsulfonyl)-N-[(1R)-1-phenylethyl]-2,3-dihydroindole-2-carboxamide
CID 92701215

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide (CID 92710467) is (2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@H]2Cc3cc(S(=O)(=O)N4CCCC4)ccc3N2C(C)=O)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is SUPJCRFWHJCDEM-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-15(28)24-18-5-7-19(8-6-18)25-23(30)22-14-17-13-20(9-10-21(17)27(22)16(2)29)33(31,32)26-11-3-4-12-26/h5-10,13,22H,3-4,11-12,14H2,1-2H3,(H,24,28)(H,25,30)/t22-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
(2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 92710467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).