1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

C23H24N4O4S2 — CID 46344526

IUPAC1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C23H24N4O4S2/c1-15(28)27-19-10-9-17(33(30,31)26-11-5-2-6-12-26)13-16(19)14-20(27)22(29)25-23-24-18-7-3-4-8-21(18)32-23/h3-4,7-10,13,20H,2,5-6,11-12,14H2,1H3,(H,24,25,29)
InChIKeyLMVYFOZVTZGLOG-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.39
Rot. Bonds4

About 1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 46344526) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
PubChem CID46344526
Molecular FormulaC23H24N4O4S2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC Name1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C23H24N4O4S2/c1-15(28)27-19-10-9-17(33(30,31)26-11-5-2-6-12-26)13-16(19)14-20(27)22(29)25-23-24-18-7-3-4-8-21(18)32-23/h3-4,7-10,13,20H,2,5-6,11-12,14H2,1H3,(H,24,25,29)
InChIKeyLMVYFOZVTZGLOG-UHFFFAOYSA-N
XLogP3.39
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-acetyl-N-(2-fluorophenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956540
(2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710467
1-acetyl-N-(4-methylphenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956590
(2R)-1-acetyl-5-(azepan-1-ylsulfonyl)-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-2-carboxamide
CID 92701218
1-acetyl-N-(3-methylphenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956591
(2S)-1-acetyl-5-(azepan-1-ylsulfonyl)-N-[(1R)-1-phenylethyl]-2,3-dihydroindole-2-carboxamide
CID 92701215
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956578
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
(2S)-1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710579
1-acetyl-5-(azepan-1-ylsulfonyl)-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-2-carboxamide
CID 20956780
1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 98276349

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide (CID 46344526) is 1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is LMVYFOZVTZGLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c1-15(28)27-19-10-9-17(33(30,31)26-11-5-2-6-12-26)13-16(19)14-20(27)22(29)25-23-24-18-7-3-4-8-21(18)32-23/h3-4,7-10,13,20H,2,5-6,11-12,14H2,1H3,(H,24,25,29).
What are the key properties of 1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 46344526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).