N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide

C21H32N4O5S — CID 20861521

IUPACN,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide
SMILESCCCN1CCN(C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N(CC)CC)cc32)CC1
InChIInChI=1S/C21H32N4O5S/c1-4-9-22-10-12-23(13-11-22)20(26)15-25-18-14-17(31(28,29)24(5-2)6-3)7-8-19(18)30-16-21(25)27/h7-8,14H,4-6,9-13,15-16H2,1-3H3
InChIKeyXEFKSHOLSCVIEM-UHFFFAOYSA-N
MW452.58 g/mol
LogP1.00
Rot. Bonds8

About N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide

N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide (PubChem CID 20861521) has the molecular formula C21H32N4O5S and a molecular weight of 452.58 g/mol. Its IUPAC name is N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide
PubChem CID20861521
Molecular FormulaC21H32N4O5S
Molecular Weight452.58 g/mol
Exact Mass452.21
IUPAC NameN,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide
SMILESCCCN1CCN(C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N(CC)CC)cc32)CC1
InChIInChI=1S/C21H32N4O5S/c1-4-9-22-10-12-23(13-11-22)20(26)15-25-18-14-17(31(28,29)24(5-2)6-3)7-8-19(18)30-16-21(25)27/h7-8,14H,4-6,9-13,15-16H2,1-3H3
InChIKeyXEFKSHOLSCVIEM-UHFFFAOYSA-N
XLogP1.00
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-diethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-sulfonamide
CID 20861516
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 20861523
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 20861524
1-[2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]acetyl]piperidine-4-carboxamide
CID 20968950
4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 20968282
N-butyl-2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 122175525
N,N-diethyl-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 110758990
4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
CID 20903081
N,N-diethyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012387
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide
CID 46255551
6-chloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one;hydrochloride
CID 6463766
N-[(2-chlorophenyl)methyl]-2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 20861488

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide (CID 20861521) is N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide is CCCN1CCN(C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N(CC)CC)cc32)CC1.
What is the InChIKey of N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide?
The InChIKey is XEFKSHOLSCVIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5S/c1-4-9-22-10-12-23(13-11-22)20(26)15-25-18-14-17(31(28,29)24(5-2)6-3)7-8-19(18)30-16-21(25)27/h7-8,14H,4-6,9-13,15-16H2,1-3H3.
What are the key properties of N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide?
N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide has a molecular weight of 452.58 g/mol, XLogP of 1.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 20861521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).