N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide

C20H19ClFN3O4S — CID 3245928

IUPACN-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H19ClFN3O4S/c1-12-4-7-16(8-5-12)25(30(27,28)20-13(2)24-29-14(20)3)11-19(26)23-15-6-9-18(22)17(21)10-15/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyAZSBIKCVHBXTLW-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.23
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide (PubChem CID 3245928) has the molecular formula C20H19ClFN3O4S and a molecular weight of 451.91 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
PubChem CID3245928
Molecular FormulaC20H19ClFN3O4S
Molecular Weight451.91 g/mol
Exact Mass451.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H19ClFN3O4S/c1-12-4-7-16(8-5-12)25(30(27,28)20-13(2)24-29-14(20)3)11-19(26)23-15-6-9-18(22)17(21)10-15/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyAZSBIKCVHBXTLW-UHFFFAOYSA-N
XLogP4.23
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide 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 N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide (CID 3245928) is N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide is Cc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
The InChIKey is AZSBIKCVHBXTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O4S/c1-12-4-7-16(8-5-12)25(30(27,28)20-13(2)24-29-14(20)3)11-19(26)23-15-6-9-18(22)17(21)10-15/h4-10H,11H2,1-3H3,(H,23,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide has a molecular weight of 451.91 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide is sourced from PubChem (CID 3245928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).