8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide

C28H33N5O7S — CID 169147270

IUPAC8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
SMILESCCOCN(COCC)S(=O)(=O)C1(COc2nccc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1
InChIInChI=1S/C28H33N5O7S/c1-4-38-18-33(19-39-5-2)41(36,37)28(11-12-28)17-40-26-24-22(10-13-30-26)14-23(27(35)32(24)3)25(34)31-16-21-8-6-20(15-29)7-9-21/h6-10,13-14H,4-5,11-12,16-19H2,1-3H3,(H,31,34)
InChIKeyKOCBUTVMFPDAIV-UHFFFAOYSA-N
MW583.67 g/mol
LogP2.27
Rot. Bonds14

About 8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide

8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide (PubChem CID 169147270) has the molecular formula C28H33N5O7S and a molecular weight of 583.67 g/mol. Its IUPAC name is 8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
PubChem CID169147270
Molecular FormulaC28H33N5O7S
Molecular Weight583.67 g/mol
Exact Mass583.21
IUPAC Name8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
SMILESCCOCN(COCC)S(=O)(=O)C1(COc2nccc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1
InChIInChI=1S/C28H33N5O7S/c1-4-38-18-33(19-39-5-2)41(36,37)28(11-12-28)17-40-26-24-22(10-13-30-26)14-23(27(35)32(24)3)25(34)31-16-21-8-6-20(15-29)7-9-21/h6-10,13-14H,4-5,11-12,16-19H2,1-3H3,(H,31,34)
InChIKeyKOCBUTVMFPDAIV-UHFFFAOYSA-N
XLogP2.27
TPSA152.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.67
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide?
The IUPAC name of 8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide (CID 169147270) is 8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for 8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide is CCOCN(COCC)S(=O)(=O)C1(COc2nccc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1.
What is the InChIKey of 8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide?
The InChIKey is KOCBUTVMFPDAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O7S/c1-4-38-18-33(19-39-5-2)41(36,37)28(11-12-28)17-40-26-24-22(10-13-30-26)14-23(27(35)32(24)3)25(34)31-16-21-8-6-20(15-29)7-9-21/h6-10,13-14H,4-5,11-12,16-19H2,1-3H3,(H,31,34).
What are the key properties of 8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide?
8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide has a molecular weight of 583.67 g/mol, XLogP of 2.27, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 169147270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).