N-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C24H25N3O3S2 — CID 2314542

IUPACN-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)ccc21
InChIInChI=1S/C24H25N3O3S2/c1-2-27-21-7-4-3-6-19(21)20-16-18(9-10-22(20)27)25-24(28)17-11-13-26(14-12-17)32(29,30)23-8-5-15-31-23/h3-10,15-17H,2,11-14H2,1H3,(H,25,28)
InChIKeyIPOLUCRDXLPTFK-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.92
Rot. Bonds5

About N-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2314542) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2314542
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC NameN-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)ccc21
InChIInChI=1S/C24H25N3O3S2/c1-2-27-21-7-4-3-6-19(21)20-16-18(9-10-22(20)27)25-24(28)17-11-13-26(14-12-17)32(29,30)23-8-5-15-31-23/h3-10,15-17H,2,11-14H2,1H3,(H,25,28)
InChIKeyIPOLUCRDXLPTFK-UHFFFAOYSA-N
XLogP4.92
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2314542) is N-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CCn1c2ccccc2c2cc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is IPOLUCRDXLPTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c1-2-27-21-7-4-3-6-19(21)20-16-18(9-10-22(20)27)25-24(28)17-11-13-26(14-12-17)32(29,30)23-8-5-15-31-23/h3-10,15-17H,2,11-14H2,1H3,(H,25,28).
What are the key properties of N-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 467.62 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2314542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).