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

C19H23N3O4S — CID 100781076

IUPACN-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-5-6-14(2)18(11-13)27(25,26)22(4)12-19(24)21-17-9-7-16(8-10-17)20-15(3)23/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyJYGJNODLTBEJFU-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.52
Rot. Bonds6

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

N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 100781076) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
PubChem CID100781076
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-5-6-14(2)18(11-13)27(25,26)22(4)12-19(24)21-17-9-7-16(8-10-17)20-15(3)23/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyJYGJNODLTBEJFU-UHFFFAOYSA-N
XLogP2.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 100781042
2-[(5-acetamido-2-methylphenyl)sulfonyl-methylamino]acetic acid
CID 60651397
N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 2545228
N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 26943608
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 46418498
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7510049
N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 8816801
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100780938
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335718

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide (CID 100781076) is N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide is CC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is JYGJNODLTBEJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-5-6-14(2)18(11-13)27(25,26)22(4)12-19(24)21-17-9-7-16(8-10-17)20-15(3)23/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide?
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 389.48 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 100781076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).