N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C19H25N3O3S2 — CID 56586345

IUPACN-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCCNc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H25N3O3S2/c23-19(21-12-5-11-20-17-6-2-1-3-7-17)16-9-13-22(14-10-16)27(24,25)18-8-4-15-26-18/h1-4,6-8,15-16,20H,5,9-14H2,(H,21,23)
InChIKeyPHUVZDFCGNAOAZ-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.77
Rot. Bonds8

About N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 56586345) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID56586345
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCCNc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H25N3O3S2/c23-19(21-12-5-11-20-17-6-2-1-3-7-17)16-9-13-22(14-10-16)27(24,25)18-8-4-15-26-18/h1-4,6-8,15-16,20H,5,9-14H2,(H,21,23)
InChIKeyPHUVZDFCGNAOAZ-UHFFFAOYSA-N
XLogP2.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-anilinopropyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 56586328
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 28564477
1-thiophen-2-ylsulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 26594377
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 93030306
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide
CID 51188882
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 92642404
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27333455
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46385752
(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019515

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 56586345) is N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(NCCCNc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is PHUVZDFCGNAOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c23-19(21-12-5-11-20-17-6-2-1-3-7-17)16-9-13-22(14-10-16)27(24,25)18-8-4-15-26-18/h1-4,6-8,15-16,20H,5,9-14H2,(H,21,23).
What are the key properties of N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 56586345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).