4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide

C26H30N2O5S — CID 100502166

IUPAC4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide
SMILESCC(C)Oc1ccc(N(Cc2ccc(C(=O)NCCOc3ccccc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C26H30N2O5S/c1-20(2)33-25-15-13-23(14-16-25)28(34(3,30)31)19-21-9-11-22(12-10-21)26(29)27-17-18-32-24-7-5-4-6-8-24/h4-16,20H,17-19H2,1-3H3,(H,27,29)
InChIKeySYGVQGQKWJMDIO-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.25
Rot. Bonds11

About 4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide

4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide (PubChem CID 100502166) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide
PubChem CID100502166
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide
SMILESCC(C)Oc1ccc(N(Cc2ccc(C(=O)NCCOc3ccccc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C26H30N2O5S/c1-20(2)33-25-15-13-23(14-16-25)28(34(3,30)31)19-21-9-11-22(12-10-21)26(29)27-17-18-32-24-7-5-4-6-8-24/h4-16,20H,17-19H2,1-3H3,(H,27,29)
InChIKeySYGVQGQKWJMDIO-UHFFFAOYSA-N
XLogP4.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenoxy)ethyl]-4-[(N-methylsulfonyl-3-propan-2-yloxyanilino)methyl]benzamide
CID 100503035
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 38017941
4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[2-(4-propylphenoxy)ethyl]benzamide
CID 100500616
N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1106193
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide
CID 113070755
N,N-dibenzyl-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30257661
4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide
CID 133185354
4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide
CID 3119032
4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 100506728
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903412
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-methylbutyl)acetamide
CID 30129108

Frequently Asked Questions

What is the IUPAC name of 4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide (CID 100502166) is 4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide is CC(C)Oc1ccc(N(Cc2ccc(C(=O)NCCOc3ccccc3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide?
The InChIKey is SYGVQGQKWJMDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-20(2)33-25-15-13-23(14-16-25)28(34(3,30)31)19-21-9-11-22(12-10-21)26(29)27-17-18-32-24-7-5-4-6-8-24/h4-16,20H,17-19H2,1-3H3,(H,27,29).
What are the key properties of 4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide?
4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide has a molecular weight of 482.60 g/mol, XLogP of 4.25, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 100502166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).