8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

C37H37ClN4O7S — CID 169147277

IUPAC8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C2(COc3ccnc4cc(C(=O)NCc5ccc(Cl)cc5)c(=O)n(C)c34)CC2)cc1
InChIInChI=1S/C37H37ClN4O7S/c1-41-34-32(20-31(36(41)44)35(43)40-21-25-4-10-28(38)11-5-25)39-19-16-33(34)49-24-37(17-18-37)50(45,46)42(22-26-6-12-29(47-2)13-7-26)23-27-8-14-30(48-3)15-9-27/h4-16,19-20H,17-18,21-24H2,1-3H3,(H,40,43)
InChIKeyQGMDBIMRUNJLAB-UHFFFAOYSA-N
MW717.24 g/mol
LogP5.48
Rot. Bonds14

About 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 169147277) has the molecular formula C37H37ClN4O7S and a molecular weight of 717.24 g/mol. Its IUPAC name is 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID169147277
Molecular FormulaC37H37ClN4O7S
Molecular Weight717.24 g/mol
Exact Mass716.21
IUPAC Name8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C2(COc3ccnc4cc(C(=O)NCc5ccc(Cl)cc5)c(=O)n(C)c34)CC2)cc1
InChIInChI=1S/C37H37ClN4O7S/c1-41-34-32(20-31(36(41)44)35(43)40-21-25-4-10-28(38)11-5-25)39-19-16-33(34)49-24-37(17-18-37)50(45,46)42(22-26-6-12-29(47-2)13-7-26)23-27-8-14-30(48-3)15-9-27/h4-16,19-20H,17-18,21-24H2,1-3H3,(H,40,43)
InChIKeyQGMDBIMRUNJLAB-UHFFFAOYSA-N
XLogP5.48
TPSA129.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.24
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 169147277) is 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C2(COc3ccnc4cc(C(=O)NCc5ccc(Cl)cc5)c(=O)n(C)c34)CC2)cc1.
What is the InChIKey of 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is QGMDBIMRUNJLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37ClN4O7S/c1-41-34-32(20-31(36(41)44)35(43)40-21-25-4-10-28(38)11-5-25)39-19-16-33(34)49-24-37(17-18-37)50(45,46)42(22-26-6-12-29(47-2)13-7-26)23-27-8-14-30(48-3)15-9-27/h4-16,19-20H,17-18,21-24H2,1-3H3,(H,40,43).
What are the key properties of 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 717.24 g/mol, XLogP of 5.48, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 169147277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).