5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide

C18H24N2O3S2 — CID 121141761

IUPAC5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC(OC)C3)cc2)s1
InChIInChI=1S/C18H24N2O3S2/c1-3-17-10-11-18(24-17)25(21,22)19-14-6-8-15(9-7-14)20-12-4-5-16(13-20)23-2/h6-11,16,19H,3-5,12-13H2,1-2H3
InChIKeyFCVYDOSEOYWCAL-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.73
Rot. Bonds6

About 5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide

5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 121141761) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide
PubChem CID121141761
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC(OC)C3)cc2)s1
InChIInChI=1S/C18H24N2O3S2/c1-3-17-10-11-18(24-17)25(21,22)19-14-6-8-15(9-7-14)20-12-4-5-16(13-20)23-2/h6-11,16,19H,3-5,12-13H2,1-2H3
InChIKeyFCVYDOSEOYWCAL-UHFFFAOYSA-N
XLogP3.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 121141816
5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 112981153
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide
CID 121141772
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 121141754
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 121141771
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide
CID 121141795
5-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)thiophene-2-sulfonamide
CID 113024663
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90595606
2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595596
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide
CID 121141858
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595634

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide (CID 121141761) is 5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC(OC)C3)cc2)s1.
What is the InChIKey of 5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is FCVYDOSEOYWCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-3-17-10-11-18(24-17)25(21,22)19-14-6-8-15(9-7-14)20-12-4-5-16(13-20)23-2/h6-11,16,19H,3-5,12-13H2,1-2H3.
What are the key properties of 5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide?
5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 380.54 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 121141761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).