N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide

C16H20ClN3O4S — CID 113059791

IUPACN-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)c1cccc(Cl)c1C
InChIInChI=1S/C16H20ClN3O4S/c1-10-14(17)6-5-7-15(10)20(13(4)21)9-8-18-25(22,23)16-11(2)19-24-12(16)3/h5-7,18H,8-9H2,1-4H3
InChIKeyAQSDUZVSMBDNAD-UHFFFAOYSA-N
MW385.87 g/mol
LogP2.58
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide

N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide (PubChem CID 113059791) has the molecular formula C16H20ClN3O4S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
PubChem CID113059791
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.87 g/mol
Exact Mass385.09
IUPAC NameN-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)c1cccc(Cl)c1C
InChIInChI=1S/C16H20ClN3O4S/c1-10-14(17)6-5-7-15(10)20(13(4)21)9-8-18-25(22,23)16-11(2)19-24-12(16)3/h5-7,18H,8-9H2,1-4H3
InChIKeyAQSDUZVSMBDNAD-UHFFFAOYSA-N
XLogP2.58
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]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-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057272
N-(2,6-diethylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113058928
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113061072
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide
CID 113057520
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113059002
N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113059773
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052089
N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113059789
N-tert-butyl-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113056671
(2,6-dichlorophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
CID 8614385
N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9146922

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide (CID 113059791) is N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)c1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide?
The InChIKey is AQSDUZVSMBDNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4S/c1-10-14(17)6-5-7-15(10)20(13(4)21)9-8-18-25(22,23)16-11(2)19-24-12(16)3/h5-7,18H,8-9H2,1-4H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide?
N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide has a molecular weight of 385.87 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113059791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).