2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide

C25H27ClN2O4S — CID 43899060

IUPAC2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-18-7-11-23(12-8-18)32-17-20(3)27-25(29)16-28(22-6-4-5-19(2)15-22)33(30,31)24-13-9-21(26)10-14-24/h4-15,20H,16-17H2,1-3H3,(H,27,29)
InChIKeyUMIVRXUEQCLPSN-UHFFFAOYSA-N
MW487.02 g/mol
LogP4.74
Rot. Bonds9

About 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide (PubChem CID 43899060) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
PubChem CID43899060
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-18-7-11-23(12-8-18)32-17-20(3)27-25(29)16-28(22-6-4-5-19(2)15-22)33(30,31)24-13-9-21(26)10-14-24/h4-15,20H,16-17H2,1-3H3,(H,27,29)
InChIKeyUMIVRXUEQCLPSN-UHFFFAOYSA-N
XLogP4.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897103
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897008
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30396613
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897149
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902234
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2238379
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92647335
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43891983
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43894047
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43886521
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43902337
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892470

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide (CID 43899060) is 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide is Cc1ccc(OCC(C)NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is UMIVRXUEQCLPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-18-7-11-23(12-8-18)32-17-20(3)27-25(29)16-28(22-6-4-5-19(2)15-22)33(30,31)24-13-9-21(26)10-14-24/h4-15,20H,16-17H2,1-3H3,(H,27,29).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 487.02 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 43899060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).