N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C19H23ClN2O4S — CID 55632364

IUPACN-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C19H23ClN2O4S/c1-2-21(14-15-8-4-5-9-16(15)20)19(23)17-10-11-18(26-17)27(24,25)22-12-6-3-7-13-22/h4-5,8-11H,2-3,6-7,12-14H2,1H3
InChIKeyBFIQTJJUCLNLAK-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.77
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55632364) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55632364
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C19H23ClN2O4S/c1-2-21(14-15-8-4-5-9-16(15)20)19(23)17-10-11-18(26-17)27(24,25)22-12-6-3-7-13-22/h4-5,8-11H,2-3,6-7,12-14H2,1H3
InChIKeyBFIQTJJUCLNLAK-UHFFFAOYSA-N
XLogP3.77
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633462
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
N-(4-anilinophenyl)-5-piperidin-1-ylsulfonyl-N-propan-2-ylfuran-2-carboxamide
CID 55984315
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid
CID 75417895
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 52572588
N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632155
N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55372961
4-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43028000
N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide
CID 78852823
4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 78853144

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55632364) is N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide is CCN(Cc1ccccc1Cl)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is BFIQTJJUCLNLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-2-21(14-15-8-4-5-9-16(15)20)19(23)17-10-11-18(26-17)27(24,25)22-12-6-3-7-13-22/h4-5,8-11H,2-3,6-7,12-14H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 410.92 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-ethyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55632364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).