7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide

C22H21FN2O3S — CID 143141463

IUPAC7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)ccc2cc(NS(C)(=O)=O)c(C3CC3)cc12
InChIInChI=1S/C22H21FN2O3S/c1-24-22(26)21-17(13-5-8-16(23)9-6-13)10-7-15-11-20(25-29(2,27)28)18(12-19(15)21)14-3-4-14/h5-12,14,25H,3-4H2,1-2H3,(H,24,26)
InChIKeyMESFNGVPYANPDI-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.25
Rot. Bonds5

About 7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide

7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide (PubChem CID 143141463) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide
PubChem CID143141463
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)ccc2cc(NS(C)(=O)=O)c(C3CC3)cc12
InChIInChI=1S/C22H21FN2O3S/c1-24-22(26)21-17(13-5-8-16(23)9-6-13)10-7-15-11-20(25-29(2,27)28)18(12-19(15)21)14-3-4-14/h5-12,14,25H,3-4H2,1-2H3,(H,24,26)
InChIKeyMESFNGVPYANPDI-UHFFFAOYSA-N
XLogP4.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-carboxylate
CID 71742621
5-cyclopropyl-2-(4-fluorophenyl)-6-[3-(2-hydroxyethoxy)propylsulfonylamino]-N-methyl-1-benzofuran-3-carboxamide
CID 134263235
5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(methylsulfonylmethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66663778
6-[[4-bromo-3-(hydroxymethyl)phenyl]methylsulfonylamino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 71258318
[5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate
CID 174716725
5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-[(3-methyl-4-nitrophenyl)methylsulfonylamino]-1-benzofuran-3-carboxamide
CID 71258768
2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide
CID 56963170
5-cyclopropyl-6-[(3-fluoro-4-nitrophenyl)methylsulfonylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 71258761
5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233693
6-[2-[4-bromo-3-(trifluoromethyl)phenyl]ethylsulfonylamino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 67354766
5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylsulfonylamino]-N-methyl-1-benzofuran-3-carboxamide
CID 71258701
[2-[2-[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]ethylamino]-2-oxoethyl]carbamic acid
CID 122573346

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide?
The IUPAC name of 7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide (CID 143141463) is 7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for 7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)ccc2cc(NS(C)(=O)=O)c(C3CC3)cc12.
What is the InChIKey of 7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide?
The InChIKey is MESFNGVPYANPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-24-22(26)21-17(13-5-8-16(23)9-6-13)10-7-15-11-20(25-29(2,27)28)18(12-19(15)21)14-3-4-14/h5-12,14,25H,3-4H2,1-2H3,(H,24,26).
What are the key properties of 7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide?
7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 143141463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).