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

C21H23N3O5S — CID 3238446

IUPACN-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H23N3O5S/c1-15-21(16(2)29-23-15)30(26,27)24(18-9-11-19(28-3)12-10-18)14-20(25)22-13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyLZUDFIIOBFJSSR-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.81
Rot. Bonds8

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

N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (PubChem CID 3238446) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
PubChem CID3238446
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H23N3O5S/c1-15-21(16(2)29-23-15)30(26,27)24(18-9-11-19(28-3)12-10-18)14-20(25)22-13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyLZUDFIIOBFJSSR-UHFFFAOYSA-N
XLogP2.81
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-3-methoxybenzamide
CID 978533
N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~1~-(2-ethoxyphenyl)-N~2~-(4-methylphenyl)glycinamide
CID 3244009
2-[N-(4-Methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-[(4-methylphenyl)methyl]acetamide
CID 20858863
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 3245908
N-(5-chloro-2-methoxyphenyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 3240730
1-({5-[(1E)-2-(Dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-YL}sulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 20876093
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-4-m-tolyloxy-butyramide
CID 649495
N-{4-[({[3-(4-methoxyphenyl)-5-isoxazolyl]methyl}amino)sulfonyl]phenyl}acetamide
CID 1484365
2-(N-(2,5-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2114711
3-{[N-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-methoxyphenyl)glycyl]amino}-4-methylbenzoic acid
CID 3235689
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3235841
N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~2~-(4-ethoxyphenyl)-N~1~-(3-methoxybenzyl)glycinamide
CID 3236341

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The IUPAC name of N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (CID 3238446) is N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.
What is the SMILES notation for N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The canonical SMILES for N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The InChIKey is LZUDFIIOBFJSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-15-21(16(2)29-23-15)30(26,27)24(18-9-11-19(28-3)12-10-18)14-20(25)22-13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide has a molecular weight of 429.50 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is sourced from PubChem (CID 3238446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).