N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide

C19H24N2O4S2 — CID 33168871

IUPACN-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H24N2O4S2/c1-25-17-6-3-2-5-15(17)8-9-18(22)21-12-10-16(11-13-21)20-27(23,24)19-7-4-14-26-19/h2-7,14,16,20H,8-13H2,1H3
InChIKeyHVSLCOMDDIXCQC-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.66
Rot. Bonds7

About N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 33168871) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID33168871
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H24N2O4S2/c1-25-17-6-3-2-5-15(17)8-9-18(22)21-12-10-16(11-13-21)20-27(23,24)19-7-4-14-26-19/h2-7,14,16,20H,8-13H2,1H3
InChIKeyHVSLCOMDDIXCQC-UHFFFAOYSA-N
XLogP2.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 39205864
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 110822101
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33173044
benzyl N-[4-oxo-4-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butyl]carbamate
CID 55824769
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide
CID 33172544
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
N-[1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 41247049
N-[1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55822643

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 33168871) is N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide is COc1ccccc1CCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is HVSLCOMDDIXCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-25-17-6-3-2-5-15(17)8-9-18(22)21-12-10-16(11-13-21)20-27(23,24)19-7-4-14-26-19/h2-7,14,16,20H,8-13H2,1H3.
What are the key properties of N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 408.55 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 33168871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).