N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C26H30N2O3S — CID 100782385

IUPACN-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C26H30N2O3S/c1-19-10-11-21(3)25(16-19)32(30,31)28(15-14-23-8-6-5-7-9-23)18-26(29)27-24-13-12-20(2)22(4)17-24/h5-13,16-17H,14-15,18H2,1-4H3,(H,27,29)
InChIKeyJCVHXPDUZKHOTK-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.79
Rot. Bonds8

About N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 100782385) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID100782385
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC NameN-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C26H30N2O3S/c1-19-10-11-21(3)25(16-19)32(30,31)28(15-14-23-8-6-5-7-9-23)18-26(29)27-24-13-12-20(2)22(4)17-24/h5-13,16-17H,14-15,18H2,1-4H3,(H,27,29)
InChIKeyJCVHXPDUZKHOTK-UHFFFAOYSA-N
XLogP4.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 100782482
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 100782472
N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782435
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-ethylacetamide
CID 100782288
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411
N-(2,4-dimethoxyphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782485
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352
N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782528
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N,N-diethylacetamide
CID 100782521
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
N-(3-chloro-4-methylphenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371884
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 100782385) is N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is JCVHXPDUZKHOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-19-10-11-21(3)25(16-19)32(30,31)28(15-14-23-8-6-5-7-9-23)18-26(29)27-24-13-12-20(2)22(4)17-24/h5-13,16-17H,14-15,18H2,1-4H3,(H,27,29).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 450.60 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 100782385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).