N-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide

C24H23N3O3S2 — CID 3873404

IUPACN-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide
SMILESO=C(/N=C1\c2ccccc2CN1c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1
InChIInChI=1S/C24H23N3O3S2/c28-24(22-12-7-15-31-22)25-23-21-11-3-2-8-18(21)17-27(23)19-9-6-10-20(16-19)32(29,30)26-13-4-1-5-14-26/h2-3,6-12,15-16H,1,4-5,13-14,17H2/b25-23+
InChIKeyFDAZGZLAQAOGKC-WJTDDFOZSA-N
MW465.60 g/mol
LogP4.53
Rot. Bonds4

About N-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide

N-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide (PubChem CID 3873404) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide
PubChem CID3873404
Molecular FormulaC24H23N3O3S2
Molecular Weight465.60 g/mol
Exact Mass465.12
IUPAC NameN-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide
SMILESO=C(/N=C1\c2ccccc2CN1c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1
InChIInChI=1S/C24H23N3O3S2/c28-24(22-12-7-15-31-22)25-23-21-11-3-2-8-18(21)17-27(23)19-9-6-10-20(16-19)32(29,30)26-13-4-1-5-14-26/h2-3,6-12,15-16H,1,4-5,13-14,17H2/b25-23+
InChIKeyFDAZGZLAQAOGKC-WJTDDFOZSA-N
XLogP4.53
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yl-N-[2-(3-pyrrolidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]benzamide
CID 4986563
(2S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55943962
(4-oxo-4-thiophen-2-ylbutyl) 3-piperidin-1-ylsulfonylbenzoate
CID 7700197
N-[1-oxo-1-[2-(3-piperidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]thiophene-2-carboxamide
CID 55489674
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4139191
3-(azepan-1-ylsulfonyl)aniline
CID 5004919
N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55923006
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 51484712
3-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 18801888
2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 5173059
3-(azepan-1-ylsulfonyl)-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 25360181
3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1101754

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide (CID 3873404) is N-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide is O=C(/N=C1\c2ccccc2CN1c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccs1.
What is the InChIKey of N-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide?
The InChIKey is FDAZGZLAQAOGKC-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c28-24(22-12-7-15-31-22)25-23-21-11-3-2-8-18(21)17-27(23)19-9-6-10-20(16-19)32(29,30)26-13-4-1-5-14-26/h2-3,6-12,15-16H,1,4-5,13-14,17H2/b25-23+.
What are the key properties of N-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide?
N-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-piperidin-1-ylsulfonylphenyl)-3H-isoindol-1-ylidene]thiophene-2-carboxamide is sourced from PubChem (CID 3873404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).