N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide

C25H30N2O2S2 — CID 22026025

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H30N2O2S2/c28-31(29,25-13-7-20-30-25)27(24-11-5-2-6-12-24)17-8-16-26-18-14-23(15-19-26)21-22-9-3-1-4-10-22/h1-7,9-13,20,23H,8,14-19,21H2
InChIKeyOTWMUHBHTJQZLJ-UHFFFAOYSA-N
MW454.66 g/mol
LogP5.29
Rot. Bonds9

About N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide (PubChem CID 22026025) has the molecular formula C25H30N2O2S2 and a molecular weight of 454.66 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide
PubChem CID22026025
Molecular FormulaC25H30N2O2S2
Molecular Weight454.66 g/mol
Exact Mass454.17
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H30N2O2S2/c28-31(29,25-13-7-20-30-25)27(24-11-5-2-6-12-24)17-8-16-26-18-14-23(15-19-26)21-22-9-3-1-4-10-22/h1-7,9-13,20,23H,8,14-19,21H2
InChIKeyOTWMUHBHTJQZLJ-UHFFFAOYSA-N
XLogP5.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(N-thiophen-2-ylsulfonylanilino)methyl]piperidine-1-carboxylic acid
CID 22506620
(2S,3S)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 97470418
N-[4-[3-(4-benzylpiperidin-1-yl)propyl]phenyl]-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
CID 10460328
N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 24731443
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
(3S,4R)-3-(4-benzylpiperidin-1-yl)-4-thiophen-2-ylsulfonylthiolane 1,1-dioxide
CID 21005923
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methylsulfonyl-N-phenylpiperidine-3-carboxamide
CID 3013680
N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110360280
N-[3-(4-benzoylpiperidin-1-yl)propyl]-2-nitro-N-phenylbenzenesulfonamide
CID 22026028
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide
CID 3013679

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide (CID 22026025) is N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide?
The InChIKey is OTWMUHBHTJQZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2S2/c28-31(29,25-13-7-20-30-25)27(24-11-5-2-6-12-24)17-8-16-26-18-14-23(15-19-26)21-22-9-3-1-4-10-22/h1-7,9-13,20,23H,8,14-19,21H2.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide has a molecular weight of 454.66 g/mol, XLogP of 5.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylthiophene-2-sulfonamide is sourced from PubChem (CID 22026025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).