N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

C25H25FN2O4S — CID 55639733

IUPACN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C25H25FN2O4S/c1-31-20-14-18(25(30)28-12-4-3-5-13-28)19(15-21(20)32-2)27-24(29)23-11-10-22(33-23)16-6-8-17(26)9-7-16/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,27,29)
InChIKeyUSVWWSDBJGWAKQ-UHFFFAOYSA-N
MW468.55 g/mol
LogP5.45
Rot. Bonds6

About N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 55639733) has the molecular formula C25H25FN2O4S and a molecular weight of 468.55 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID55639733
Molecular FormulaC25H25FN2O4S
Molecular Weight468.55 g/mol
Exact Mass468.15
IUPAC NameN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C25H25FN2O4S/c1-31-20-14-18(25(30)28-12-4-3-5-13-28)19(15-21(20)32-2)27-24(29)23-11-10-22(33-23)16-6-8-17(26)9-7-16/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,27,29)
InChIKeyUSVWWSDBJGWAKQ-UHFFFAOYSA-N
XLogP5.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55640010
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55639759
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 166406023
5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120620884
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 55639888
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methyl-3-nitrobenzamide
CID 55639880
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55639644
N-[3-(dimethylamino)propyl]-5-[3-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 177365606
(E)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 55639593
N-[2-(1,4-diazepane-1-carbonyl)-4,5-dimethoxyphenyl]benzamide
CID 119417744
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 55639733) is N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c(C(=O)N2CCCCC2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is USVWWSDBJGWAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O4S/c1-31-20-14-18(25(30)28-12-4-3-5-13-28)19(15-21(20)32-2)27-24(29)23-11-10-22(33-23)16-6-8-17(26)9-7-16/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,27,29).
What are the key properties of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 55639733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).