N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

C19H23N3O4S — CID 9039784

IUPACN-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-4-8-17(9-5-13)27(25,26)21-12-18(23)20-11-19(24)22-16-7-6-14(2)15(3)10-16/h4-10,21H,11-12H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyMIJZABQVIVENPM-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.65
Rot. Bonds7

About N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (PubChem CID 9039784) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
PubChem CID9039784
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-4-8-17(9-5-13)27(25,26)21-12-18(23)20-11-19(24)22-16-7-6-14(2)15(3)10-16/h4-10,21H,11-12H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyMIJZABQVIVENPM-UHFFFAOYSA-N
XLogP1.65
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 34735877
N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9203847
N-(3-acetamido-4-methoxyphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24666813
N-(3-chlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9042351
N-(3-ethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24536492
N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112996585
2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide
CID 9412305
2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 7979655
N-(3-chloro-4-methylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998194
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid
CID 58392578
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570245

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (CID 9039784) is N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The InChIKey is MIJZABQVIVENPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-4-8-17(9-5-13)27(25,26)21-12-18(23)20-11-19(24)22-16-7-6-14(2)15(3)10-16/h4-10,21H,11-12H2,1-3H3,(H,20,23)(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is sourced from PubChem (CID 9039784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).