N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

C26H20ClN3O2S — CID 19499133

IUPACN-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cn2cc(Cl)cn2)cc1)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C26H20ClN3O2S/c27-22-13-28-30(15-22)14-18-5-8-23(9-6-18)29-26(31)25-11-19(17-33-25)16-32-24-10-7-20-3-1-2-4-21(20)12-24/h1-13,15,17H,14,16H2,(H,29,31)
InChIKeyVIAUCFZGWKIGSE-UHFFFAOYSA-N
MW473.99 g/mol
LogP6.63
Rot. Bonds7

About N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (PubChem CID 19499133) has the molecular formula C26H20ClN3O2S and a molecular weight of 473.99 g/mol. Its IUPAC name is N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
PubChem CID19499133
Molecular FormulaC26H20ClN3O2S
Molecular Weight473.99 g/mol
Exact Mass473.10
IUPAC NameN-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cn2cc(Cl)cn2)cc1)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C26H20ClN3O2S/c27-22-13-28-30(15-22)14-18-5-8-23(9-6-18)29-26(31)25-11-19(17-33-25)16-32-24-10-7-20-3-1-2-4-21(20)12-24/h1-13,15,17H,14,16H2,(H,29,31)
InChIKeyVIAUCFZGWKIGSE-UHFFFAOYSA-N
XLogP6.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.99
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505217
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(3,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471916
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498924
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499068
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471777
N-(1-benzylpyrazol-4-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490888
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503362
4-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19505306
4-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503406
4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19483755
4-[(4-chlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19503285
N-(1-benzylpyrazol-4-yl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19505434

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (CID 19499133) is N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is O=C(Nc1ccc(Cn2cc(Cl)cn2)cc1)c1cc(COc2ccc3ccccc3c2)cs1.
What is the InChIKey of N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The InChIKey is VIAUCFZGWKIGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O2S/c27-22-13-28-30(15-22)14-18-5-8-23(9-6-18)29-26(31)25-11-19(17-33-25)16-32-24-10-7-20-3-1-2-4-21(20)12-24/h1-13,15,17H,14,16H2,(H,29,31).
What are the key properties of N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide has a molecular weight of 473.99 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19499133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).