N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

C19H23ClN2O4S2 — CID 134041709

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23ClN2O4S2/c1-21(11-12-26-16-7-5-6-15(20)14-16)19(23)18-17(8-13-27-18)28(24,25)22-9-3-2-4-10-22/h5-8,13-14H,2-4,9-12H2,1H3
InChIKeyWZZVVOVSECBKFT-UHFFFAOYSA-N
MW442.99 g/mol
LogP3.73
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 134041709) has the molecular formula C19H23ClN2O4S2 and a molecular weight of 442.99 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID134041709
Molecular FormulaC19H23ClN2O4S2
Molecular Weight442.99 g/mol
Exact Mass442.08
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23ClN2O4S2/c1-21(11-12-26-16-7-5-6-15(20)14-16)19(23)18-17(8-13-27-18)28(24,25)22-9-3-2-4-10-22/h5-8,13-14H,2-4,9-12H2,1H3
InChIKeyWZZVVOVSECBKFT-UHFFFAOYSA-N
XLogP3.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9246729
3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61138440
N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide
CID 55996825
N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 27447023
N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037324
3-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 31213484
2-(3-chlorophenoxy)ethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16528571
3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide
CID 55524372
N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 32886702
N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55716591
N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 119068920
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24667638

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 134041709) is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is CN(CCOc1cccc(Cl)c1)C(=O)c1sccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is WZZVVOVSECBKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S2/c1-21(11-12-26-16-7-5-6-15(20)14-16)19(23)18-17(8-13-27-18)28(24,25)22-9-3-2-4-10-22/h5-8,13-14H,2-4,9-12H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 442.99 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 134041709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).