N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide

C18H18ClN3O5S — CID 22582558

IUPACN-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide
SMILESCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H18ClN3O5S/c1-22(10-17(23)20-9-12-2-4-13(19)5-3-12)28(25,26)14-6-7-16-15(8-14)21-18(24)11-27-16/h2-8H,9-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyYSICJSLPMICTQB-UHFFFAOYSA-N
MW423.88 g/mol
LogP1.61
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide

N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide (PubChem CID 22582558) has the molecular formula C18H18ClN3O5S and a molecular weight of 423.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide
PubChem CID22582558
Molecular FormulaC18H18ClN3O5S
Molecular Weight423.88 g/mol
Exact Mass423.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide
SMILESCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H18ClN3O5S/c1-22(10-17(23)20-9-12-2-4-13(19)5-3-12)28(25,26)14-6-7-16-15(8-14)21-18(24)11-27-16/h2-8H,9-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyYSICJSLPMICTQB-UHFFFAOYSA-N
XLogP1.61
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide 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-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide
CID 22582533
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862475
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 55614997
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548269
N-benzyl-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282161
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylbenzamide;3-oxo-4H-1,4-benzoxazine-6-sulfonic acid
CID 87501405
N-(4-chloro-2-methylphenyl)-2-[methyl-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]amino]acetamide
CID 50808546
methyl 4-oxo-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]butanoate
CID 110738387
2,2-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738388
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2-pyridin-4-ylacetamide
CID 59802771
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4816152
N-[(3-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770256

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide (CID 22582558) is N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide is CN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide?
The InChIKey is YSICJSLPMICTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O5S/c1-22(10-17(23)20-9-12-2-4-13(19)5-3-12)28(25,26)14-6-7-16-15(8-14)21-18(24)11-27-16/h2-8H,9-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide has a molecular weight of 423.88 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 22582558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).