N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide

C19H23ClN2O2S — CID 71801126

IUPACN-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C19H23ClN2O2S/c20-17-5-3-15(4-6-17)12-21-19(23)22-9-7-16(8-10-22)13-25-14-18-2-1-11-24-18/h1-6,11,16H,7-10,12-14H2,(H,21,23)
InChIKeyDOLRUIVORRLMCN-UHFFFAOYSA-N
MW378.93 g/mol
LogP4.79
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide

N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide (PubChem CID 71801126) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
PubChem CID71801126
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C19H23ClN2O2S/c20-17-5-3-15(4-6-17)12-21-19(23)22-9-7-16(8-10-22)13-25-14-18-2-1-11-24-18/h1-6,11,16H,7-10,12-14H2,(H,21,23)
InChIKeyDOLRUIVORRLMCN-UHFFFAOYSA-N
XLogP4.79
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorobenzyl)thio]-N-{2-[(2-furylmethyl)thio]ethyl}acetamide
CID 2289502
N-{2-[(2-furylmethyl)thio]ethyl}-4-(4-morpholinylmethyl)benzamide
CID 2287281
3-[(2-chlorobenzyl)thio]-N-(2-furylmethyl)propanamide
CID 4988114
3-[(4-chlorobenzyl)thio]-N-(2-furylmethyl)propanamide
CID 5179416
(2E)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 5934774
N-(4-chlorobenzyl)-2-((1-(furan-2-ylmethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032828
(E)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide
CID 2466503
Cambridge id 6809312
CID 2287615
N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylsulfanyl)acetamide
CID 2338254
4-chloro-N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)benzamide
CID 16896100
2-(benzylthio)-N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)acetamide
CID 45559037
(E)-2-chloro-6-fluoro-N-((1-(3-(furan-2-yl)acryloyl)piperidin-4-yl)methyl)benzamide
CID 49691511

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide (CID 71801126) is N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1)N1CCC(CSCc2ccco2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide?
The InChIKey is DOLRUIVORRLMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c20-17-5-3-15(4-6-17)12-21-19(23)22-9-7-16(8-10-22)13-25-14-18-2-1-11-24-18/h1-6,11,16H,7-10,12-14H2,(H,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide has a molecular weight of 378.93 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71801126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).