N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide

C19H23ClN2O5S2 — CID 33168370

IUPACN-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESCCOc1c(Cl)cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1OC
InChIInChI=1S/C19H23ClN2O5S2/c1-3-27-18-15(20)11-13(12-16(18)26-2)19(23)22-8-6-14(7-9-22)21-29(24,25)17-5-4-10-28-17/h4-5,10-12,14,21H,3,6-9H2,1-2H3
InChIKeyPXEWQLGPYZDJIR-UHFFFAOYSA-N
MW458.99 g/mol
LogP3.39
Rot. Bonds7

About N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide

N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 33168370) has the molecular formula C19H23ClN2O5S2 and a molecular weight of 458.99 g/mol. Its IUPAC name is N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID33168370
Molecular FormulaC19H23ClN2O5S2
Molecular Weight458.99 g/mol
Exact Mass458.07
IUPAC NameN-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESCCOc1c(Cl)cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1OC
InChIInChI=1S/C19H23ClN2O5S2/c1-3-27-18-15(20)11-13(12-16(18)26-2)19(23)22-8-6-14(7-9-22)21-29(24,25)17-5-4-10-28-17/h4-5,10-12,14,21H,3,6-9H2,1-2H3
InChIKeyPXEWQLGPYZDJIR-UHFFFAOYSA-N
XLogP3.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.99
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34340171
(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 78768166
(3-chloro-4-ethoxy-5-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31327621
1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45427120
N-[1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 41247049
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749
N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33168871
methyl 4-chloro-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]sulfonylbenzoate
CID 30872655
1-(3-chloro-4-ethoxy-5-methoxybenzoyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 167837907
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
(3-chloro-4-ethoxy-5-methoxyphenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 17476571

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide (CID 33168370) is N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide is CCOc1c(Cl)cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1OC.
What is the InChIKey of N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is PXEWQLGPYZDJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S2/c1-3-27-18-15(20)11-13(12-16(18)26-2)19(23)22-8-6-14(7-9-22)21-29(24,25)17-5-4-10-28-17/h4-5,10-12,14,21H,3,6-9H2,1-2H3.
What are the key properties of N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 458.99 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 33168370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).