N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

C25H19ClN4O2S — CID 19499068

IUPACN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C25H19ClN4O2S/c26-21-8-5-17(6-9-21)13-30-16-27-25(29-30)28-24(31)23-11-18(15-33-23)14-32-22-10-7-19-3-1-2-4-20(19)12-22/h1-12,15-16H,13-14H2,(H,28,29,31)
InChIKeyGNOVLMBYWFAUGJ-UHFFFAOYSA-N
MW474.97 g/mol
LogP6.03
Rot. Bonds7

About N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (PubChem CID 19499068) has the molecular formula C25H19ClN4O2S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
PubChem CID19499068
Molecular FormulaC25H19ClN4O2S
Molecular Weight474.97 g/mol
Exact Mass474.09
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C25H19ClN4O2S/c26-21-8-5-17(6-9-21)13-30-16-27-25(29-30)28-24(31)23-11-18(15-33-23)14-32-22-10-7-19-3-1-2-4-20(19)12-22/h1-12,15-16H,13-14H2,(H,28,29,31)
InChIKeyGNOVLMBYWFAUGJ-UHFFFAOYSA-N
XLogP6.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.97
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499070
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498924
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19503393
N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499069
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501264
4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19493284
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499133
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490981
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469549
4-[(2-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19503147
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carboxamide
CID 19486544
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491217

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (CID 19499068) is N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cc(COc2ccc3ccccc3c2)cs1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The InChIKey is GNOVLMBYWFAUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O2S/c26-21-8-5-17(6-9-21)13-30-16-27-25(29-30)28-24(31)23-11-18(15-33-23)14-32-22-10-7-19-3-1-2-4-20(19)12-22/h1-12,15-16H,13-14H2,(H,28,29,31).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide has a molecular weight of 474.97 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19499068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).