2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide

C21H28N2O4S — CID 43895296

IUPAC2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-15-6-8-20(9-7-15)27-14-18(4)22-21(24)13-23(28(5,25)26)19-11-16(2)10-17(3)12-19/h6-12,18H,13-14H2,1-5H3,(H,22,24)
InChIKeyACTIHANBLICIJW-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.96
Rot. Bonds8

About 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide (PubChem CID 43895296) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
PubChem CID43895296
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-15-6-8-20(9-7-15)27-14-18(4)22-21(24)13-23(28(5,25)26)19-11-16(2)10-17(3)12-19/h6-12,18H,13-14H2,1-5H3,(H,22,24)
InChIKeyACTIHANBLICIJW-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide
CID 30220437
2-(4-iodo-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897350
2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43895852
N-[1-(4-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43901368
N-[1-(4-methylphenoxy)propan-2-yl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896242
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43875485
N-[1-(4-methylphenoxy)propan-2-yl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43901364
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 43899355
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43899060
N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 3800769
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125042890
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897149

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide (CID 43895296) is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide is Cc1ccc(OCC(C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is ACTIHANBLICIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15-6-8-20(9-7-15)27-14-18(4)22-21(24)13-23(28(5,25)26)19-11-16(2)10-17(3)12-19/h6-12,18H,13-14H2,1-5H3,(H,22,24).
What are the key properties of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 404.53 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 43895296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).