N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C20H23N3O4S2 — CID 43015826

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)ccc21
InChIInChI=1S/C20H23N3O4S2/c1-14(24)23-10-8-15-12-17(6-7-18(15)23)21-20(25)16-4-2-9-22(13-16)29(26,27)19-5-3-11-28-19/h3,5-7,11-12,16H,2,4,8-10,13H2,1H3,(H,21,25)
InChIKeyUKNGQRSJCIOUEH-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.70
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 43015826) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID43015826
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)ccc21
InChIInChI=1S/C20H23N3O4S2/c1-14(24)23-10-8-15-12-17(6-7-18(15)23)21-20(25)16-4-2-9-22(13-16)29(26,27)19-5-3-11-28-19/h3,5-7,11-12,16H,2,4,8-10,13H2,1H3,(H,21,25)
InChIKeyUKNGQRSJCIOUEH-UHFFFAOYSA-N
XLogP2.70
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 42923024
N-(9H-fluoren-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18268486
(3S)-N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012522
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
(3S)-N-(4-bromo-3-chlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92642718
methyl 3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate
CID 46764341
(3S)-N-(4-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9076312
(3S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9397559
(3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9397582
1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 55412270
(3R)-N-[3-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092353
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 43015826) is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CC(=O)N1CCc2cc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is UKNGQRSJCIOUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-14(24)23-10-8-15-12-17(6-7-18(15)23)21-20(25)16-4-2-9-22(13-16)29(26,27)19-5-3-11-28-19/h3,5-7,11-12,16H,2,4,8-10,13H2,1H3,(H,21,25).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43015826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).