N-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide

C21H22ClN3O5S — CID 20858896

IUPACN-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H22ClN3O5S/c1-14-21(15(2)30-24-14)31(27,28)25(18-8-10-19(29-3)11-9-18)13-20(26)23-12-16-4-6-17(22)7-5-16/h4-11H,12-13H2,1-3H3,(H,23,26)
InChIKeyNUOGYEGWKFXVQF-UHFFFAOYSA-N
MW463.94 g/mol
LogP3.47
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide

N-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (PubChem CID 20858896) has the molecular formula C21H22ClN3O5S and a molecular weight of 463.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
PubChem CID20858896
Molecular FormulaC21H22ClN3O5S
Molecular Weight463.94 g/mol
Exact Mass463.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H22ClN3O5S/c1-14-21(15(2)30-24-14)31(27,28)25(18-8-10-19(29-3)11-9-18)13-20(26)23-12-16-4-6-17(22)7-5-16/h4-11H,12-13H2,1-3H3,(H,23,26)
InChIKeyNUOGYEGWKFXVQF-UHFFFAOYSA-N
XLogP3.47
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (CID 20858896) is N-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The InChIKey is NUOGYEGWKFXVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O5S/c1-14-21(15(2)30-24-14)31(27,28)25(18-8-10-19(29-3)11-9-18)13-20(26)23-12-16-4-6-17(22)7-5-16/h4-11H,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide has a molecular weight of 463.94 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is sourced from PubChem (CID 20858896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).