N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide

C20H21N3O4S — CID 10318748

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(N4CCCCC4=O)cccc23)c1C
InChIInChI=1S/C20H21N3O4S/c1-13-14(2)21-27-20(13)22-28(25,26)18-10-6-7-15-16(18)8-5-9-17(15)23-12-4-3-11-19(23)24/h5-10,22H,3-4,11-12H2,1-2H3
InChIKeyVCRURAWAYQUHMS-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.76
Rot. Bonds4

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide (PubChem CID 10318748) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide
PubChem CID10318748
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(N4CCCCC4=O)cccc23)c1C
InChIInChI=1S/C20H21N3O4S/c1-13-14(2)21-27-20(13)22-28(25,26)18-10-6-7-15-16(18)8-5-9-17(15)23-12-4-3-11-19(23)24/h5-10,22H,3-4,11-12H2,1-2H3
InChIKeyVCRURAWAYQUHMS-UHFFFAOYSA-N
XLogP3.76
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide with MolForge

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Related Compounds

Bms 182874
CID 122272
5-Ethylamino-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 9974857
N-[8-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen-2-yl]-acetamide
CID 9998564
2-[5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen-1-ylamino]-propionic acid ethyl ester
CID 10002033
5-Pyrrolidin-1-yl-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10022121
ETA antagonist 1
CID 10068813
5-Amino-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide
CID 10087191
5-(3-Phenyl-thioureido)-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10095393
N-[5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalen-1-yl]-acetamide
CID 10338501
5-Isopropylamino-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10361107
5-(Isopropyl-methyl-amino)-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10361993
5-Dimethylamino-naphthalene-1-sulfonic acid (4-ethyl-3-methyl-isoxazol-5-yl)-amide
CID 10383850

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide (CID 10318748) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide is Cc1noc(NS(=O)(=O)c2cccc3c(N4CCCCC4=O)cccc23)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide?
The InChIKey is VCRURAWAYQUHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13-14(2)21-27-20(13)22-28(25,26)18-10-6-7-15-16(18)8-5-9-17(15)23-12-4-3-11-19(23)24/h5-10,22H,3-4,11-12H2,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide has a molecular weight of 399.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopiperidin-1-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 10318748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).