2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide

C19H19N3O3S2 — CID 5173059

IUPAC2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESN#CC(=Cc1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H19N3O3S2/c20-14-15(12-17-7-5-11-26-17)19(23)21-16-6-4-8-18(13-16)27(24,25)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2,(H,21,23)
InChIKeyDTCRHTFOIFNSPA-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.47
Rot. Bonds5

About 2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide

2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 5173059) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID5173059
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESN#CC(=Cc1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H19N3O3S2/c20-14-15(12-17-7-5-11-26-17)19(23)21-16-6-4-8-18(13-16)27(24,25)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2,(H,21,23)
InChIKeyDTCRHTFOIFNSPA-UHFFFAOYSA-N
XLogP3.47
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-cyano-3-(4-methylphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 6050394
(Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 75460407
2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 3367805
2-cyano-N-(3-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 958696
(Z)-2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 84582781
(E)-2-cyano-N-(3,5-dichlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 7912255
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-thiophen-2-ylprop-2-enoate
CID 3342302
(2S)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55943962
N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide
CID 30275091
N-(3-piperidin-1-ylsulfonylphenyl)formamide
CID 168654481
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of 2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide (CID 5173059) is 2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for 2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for 2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide is N#CC(=Cc1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is DTCRHTFOIFNSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c20-14-15(12-17-7-5-11-26-17)19(23)21-16-6-4-8-18(13-16)27(24,25)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2,(H,21,23).
What are the key properties of 2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide?
2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 401.51 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 5173059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).