2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide

C26H30N2O4S — CID 30271613

IUPAC2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2ccccc2)cc1C
InChIInChI=1S/C26H30N2O4S/c1-20-9-7-10-22(17-20)11-8-16-27-26(29)19-28(23-12-5-4-6-13-23)33(30,31)24-14-15-25(32-3)21(2)18-24/h4-7,9-10,12-15,17-18H,8,11,16,19H2,1-3H3,(H,27,29)
InChIKeyQFLDRCWQZCOMRI-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.26
Rot. Bonds10

About 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide

2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide (PubChem CID 30271613) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
PubChem CID30271613
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2ccccc2)cc1C
InChIInChI=1S/C26H30N2O4S/c1-20-9-7-10-22(17-20)11-8-16-27-26(29)19-28(23-12-5-4-6-13-23)33(30,31)24-14-15-25(32-3)21(2)18-24/h4-7,9-10,12-15,17-18H,8,11,16,19H2,1-3H3,(H,27,29)
InChIKeyQFLDRCWQZCOMRI-UHFFFAOYSA-N
XLogP4.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30277462
N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30269196
N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30271841
N-[(4-chlorophenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30263600
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265589
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30176126
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30263518
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 43892388
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 30205747
N-(3-chlorophenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30258990
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide
CID 43896698
N-[(4-ethoxyphenyl)methyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30273048

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide (CID 30271613) is 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2ccccc2)cc1C.
What is the InChIKey of 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide?
The InChIKey is QFLDRCWQZCOMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-20-9-7-10-22(17-20)11-8-16-27-26(29)19-28(23-12-5-4-6-13-23)33(30,31)24-14-15-25(32-3)21(2)18-24/h4-7,9-10,12-15,17-18H,8,11,16,19H2,1-3H3,(H,27,29).
What are the key properties of 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide?
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide is sourced from PubChem (CID 30271613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).