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

C30H30N2O4S — CID 100782482

IUPAC2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C30H30N2O4S/c1-23-13-14-24(2)29(21-23)37(34,35)32(20-19-25-9-5-3-6-10-25)22-30(33)31-26-15-17-28(18-16-26)36-27-11-7-4-8-12-27/h3-18,21H,19-20,22H2,1-2H3,(H,31,33)
InChIKeyDZDIJXJUISEMNC-UHFFFAOYSA-N
MW514.65 g/mol
LogP5.97
Rot. Bonds10

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

2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 100782482) has the molecular formula C30H30N2O4S and a molecular weight of 514.65 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide
PubChem CID100782482
Molecular FormulaC30H30N2O4S
Molecular Weight514.65 g/mol
Exact Mass514.19
IUPAC Name2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C30H30N2O4S/c1-23-13-14-24(2)29(21-23)37(34,35)32(20-19-25-9-5-3-6-10-25)22-30(33)31-26-15-17-28(18-16-26)36-27-11-7-4-8-12-27/h3-18,21H,19-20,22H2,1-2H3,(H,31,33)
InChIKeyDZDIJXJUISEMNC-UHFFFAOYSA-N
XLogP5.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 100782472
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782385
N-(2,4-dimethoxyphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782485
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-ethylacetamide
CID 100782288
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,N-diethylacetamide
CID 100782521
N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782528
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 4562030
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990
N-[1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 133255072
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782324

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide (CID 100782482) is 2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide is Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is DZDIJXJUISEMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4S/c1-23-13-14-24(2)29(21-23)37(34,35)32(20-19-25-9-5-3-6-10-25)22-30(33)31-26-15-17-28(18-16-26)36-27-11-7-4-8-12-27/h3-18,21H,19-20,22H2,1-2H3,(H,31,33).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide?
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 514.65 g/mol, XLogP of 5.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 100782482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).