N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide

C23H21N3O4S — CID 172669663

IUPACN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
SMILESCc1nnc(CN(C)C(=O)c2ccc3c(-c4cccc(S(C)(=O)=O)c4)cccc3c2)o1
InChIInChI=1S/C23H21N3O4S/c1-15-24-25-22(30-15)14-26(2)23(27)18-10-11-21-16(12-18)7-5-9-20(21)17-6-4-8-19(13-17)31(3,28)29/h4-13H,14H2,1-3H3
InChIKeyFWYLVCVDMLBRIC-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.87
Rot. Bonds5

About N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide

N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide (PubChem CID 172669663) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
PubChem CID172669663
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
SMILESCc1nnc(CN(C)C(=O)c2ccc3c(-c4cccc(S(C)(=O)=O)c4)cccc3c2)o1
InChIInChI=1S/C23H21N3O4S/c1-15-24-25-22(30-15)14-26(2)23(27)18-10-11-21-16(12-18)7-5-9-20(21)17-6-4-8-19(13-17)31(3,28)29/h4-13H,14H2,1-3H3
InChIKeyFWYLVCVDMLBRIC-UHFFFAOYSA-N
XLogP3.87
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide (CID 172669663) is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide is Cc1nnc(CN(C)C(=O)c2ccc3c(-c4cccc(S(C)(=O)=O)c4)cccc3c2)o1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide?
The InChIKey is FWYLVCVDMLBRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-15-24-25-22(30-15)14-26(2)23(27)18-10-11-21-16(12-18)7-5-9-20(21)17-6-4-8-19(13-17)31(3,28)29/h4-13H,14H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide?
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methylsulfonylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 172669663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).