N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

C23H18ClNO2S — CID 19498980

IUPACN-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C23H18ClNO2S/c24-21-8-4-3-7-19(21)13-25-23(26)22-11-16(15-28-22)14-27-20-10-9-17-5-1-2-6-18(17)12-20/h1-12,15H,13-14H2,(H,25,26)
InChIKeyFMZWQUYSMLHKJV-UHFFFAOYSA-N
MW407.92 g/mol
LogP6.06
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (PubChem CID 19498980) has the molecular formula C23H18ClNO2S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
PubChem CID19498980
Molecular FormulaC23H18ClNO2S
Molecular Weight407.92 g/mol
Exact Mass407.07
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C23H18ClNO2S/c24-21-8-4-3-7-19(21)13-25-23(26)22-11-16(15-28-22)14-27-20-10-9-17-5-1-2-6-18(17)12-20/h1-12,15H,13-14H2,(H,25,26)
InChIKeyFMZWQUYSMLHKJV-UHFFFAOYSA-N
XLogP6.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.92
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492957
4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19498923
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499070
N-(2-adamantyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498990
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499133
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499068
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498924
4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 19483323
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469549
N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499069
4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 19503099
4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19484402

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (CID 19498980) is N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is O=C(NCc1ccccc1Cl)c1cc(COc2ccc3ccccc3c2)cs1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The InChIKey is FMZWQUYSMLHKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2S/c24-21-8-4-3-7-19(21)13-25-23(26)22-11-16(15-28-22)14-27-20-10-9-17-5-1-2-6-18(17)12-20/h1-12,15H,13-14H2,(H,25,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19498980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).