tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate

C20H22N4O5S — CID 164563691

IUPACtert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)NCc1cccc(-c2ccnc3[nH]c(=O)ccc23)c1
InChIInChI=1S/C20H22N4O5S/c1-20(2,3)29-19(26)24-30(27,28)22-12-13-5-4-6-14(11-13)15-9-10-21-18-16(15)7-8-17(25)23-18/h4-11,22H,12H2,1-3H3,(H,24,26)(H,21,23,25)
InChIKeyPSULSKCRGYMUDF-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.45
Rot. Bonds5

About tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate

tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate (PubChem CID 164563691) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate
PubChem CID164563691
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Nametert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)NCc1cccc(-c2ccnc3[nH]c(=O)ccc23)c1
InChIInChI=1S/C20H22N4O5S/c1-20(2,3)29-19(26)24-30(27,28)22-12-13-5-4-6-14(11-13)15-9-10-21-18-16(15)7-8-17(25)23-18/h4-11,22H,12H2,1-3H3,(H,24,26)(H,21,23,25)
InChIKeyPSULSKCRGYMUDF-UHFFFAOYSA-N
XLogP2.45
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate (CID 164563691) is tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate is CC(C)(C)OC(=O)NS(=O)(=O)NCc1cccc(-c2ccnc3[nH]c(=O)ccc23)c1.
What is the InChIKey of tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate?
The InChIKey is PSULSKCRGYMUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-20(2,3)29-19(26)24-30(27,28)22-12-13-5-4-6-14(11-13)15-9-10-21-18-16(15)7-8-17(25)23-18/h4-11,22H,12H2,1-3H3,(H,24,26)(H,21,23,25).
What are the key properties of tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate?
tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate has a molecular weight of 430.49 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate is sourced from PubChem (CID 164563691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).