N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide

C20H26N2O3S — CID 100781403

IUPACN-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C20H26N2O3S/c1-6-22(26(24,25)19-12-15(3)7-9-16(19)4)13-20(23)21-18-10-8-14(2)11-17(18)5/h7-12H,6,13H2,1-5H3,(H,21,23)
InChIKeyIZSVPXDVVAZGOX-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.57
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide

N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide (PubChem CID 100781403) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
PubChem CID100781403
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C20H26N2O3S/c1-6-22(26(24,25)19-12-15(3)7-9-16(19)4)13-20(23)21-18-10-8-14(2)11-17(18)5/h7-12H,6,13H2,1-5H3,(H,21,23)
InChIKeyIZSVPXDVVAZGOX-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3955899
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 100781629
N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781337
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 3632011
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100781619
N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 26943608
2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 30329201
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 100781494
N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781224
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide (CID 100781403) is N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide is CCN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is IZSVPXDVVAZGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-6-22(26(24,25)19-12-15(3)7-9-16(19)4)13-20(23)21-18-10-8-14(2)11-17(18)5/h7-12H,6,13H2,1-5H3,(H,21,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide?
N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 100781403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).