N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide

C20H22N2O2S2 — CID 46740008

IUPACN-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(C(c2ccsc2)N2CCCCC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C20H22N2O2S2/c1-14-12-16(20(26-14)21-19(23)17-6-5-10-24-17)18(15-7-11-25-13-15)22-8-3-2-4-9-22/h5-7,10-13,18H,2-4,8-9H2,1H3,(H,21,23)
InChIKeyVHFVKWQHIRQHSH-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.54
Rot. Bonds5

About N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide

N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 46740008) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID46740008
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC NameN-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(C(c2ccsc2)N2CCCCC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C20H22N2O2S2/c1-14-12-16(20(26-14)21-19(23)17-6-5-10-24-17)18(15-7-11-25-13-15)22-8-3-2-4-9-22/h5-7,10-13,18H,2-4,8-9H2,1H3,(H,21,23)
InChIKeyVHFVKWQHIRQHSH-UHFFFAOYSA-N
XLogP5.54
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93478860
N-[3-[(R)-(3-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93478843
N-[3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93478845
N-[3-[(3,4-dimethoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740002
N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93478837
N-[5-ethyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479448
N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479142
N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740131
N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479399
N-[3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740273
N-[3-[(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740268
N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93479194

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide (CID 46740008) is N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(C(c2ccsc2)N2CCCCC2)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is VHFVKWQHIRQHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-14-12-16(20(26-14)21-19(23)17-6-5-10-24-17)18(15-7-11-25-13-15)22-8-3-2-4-9-22/h5-7,10-13,18H,2-4,8-9H2,1H3,(H,21,23).
What are the key properties of N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46740008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).