N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide

C23H23NO5S — CID 12005487

IUPACN-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc(N(C(=O)COc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO5S/c1-17-4-10-21(11-5-17)29-16-23(25)24(19-8-12-20(28-3)13-9-19)30(26,27)22-14-6-18(2)7-15-22/h4-15H,16H2,1-3H3
InChIKeyDDIKMVZXTOCANA-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.11
Rot. Bonds7

About N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide

N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 12005487) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID12005487
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC NameN-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc(N(C(=O)COc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23NO5S/c1-17-4-10-21(11-5-17)29-16-23(25)24(19-8-12-20(28-3)13-9-19)30(26,27)22-14-6-18(2)7-15-22/h4-15H,16H2,1-3H3
InChIKeyDDIKMVZXTOCANA-UHFFFAOYSA-N
XLogP4.11
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
2-(2-benzylphenoxy)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16313859
4-[3-(4-Methoxy-phenyl)-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 10665242
(2S)-3-[N-(benzenesulfonyl)-4-(4-methylphenoxy)anilino]-N,2-dihydroxypropanamide
CID 24956582
N-(4-methoxyphenyl)-2-(4-methylphenoxy)acetamide
CID 681892
2-(4-ethylphenoxy)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1014119
Acetic acid 4-[acetyl-(naphthalene-2-sulfonyl)-amino]-phenyl ester
CID 1098523
N-(2-ethoxyphenyl)-N~2~-[(4-methylphenyl)sulfonyl]-N~2~-(2-phenylethyl)glycinamide
CID 1142001
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 1226821

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide (CID 12005487) is N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide is COc1ccc(N(C(=O)COc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is DDIKMVZXTOCANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5S/c1-17-4-10-21(11-5-17)29-16-23(25)24(19-8-12-20(28-3)13-9-19)30(26,27)22-14-6-18(2)7-15-22/h4-15H,16H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide?
N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 425.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 12005487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).