N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide

C20H25N3O4S — CID 46822994

IUPACN-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)N(C)CC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H25N3O4S/c1-15-9-10-16(2)18(13-15)28(26,27)21-12-11-20(25)23(3)14-19(24)22-17-7-5-4-6-8-17/h4-10,13,21H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyTVNYLECEVOMDBO-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.07
Rot. Bonds8

About N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide

N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 46822994) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID46822994
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)N(C)CC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H25N3O4S/c1-15-9-10-16(2)18(13-15)28(26,27)21-12-11-20(25)23(3)14-19(24)22-17-7-5-4-6-8-17/h4-10,13,21H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyTVNYLECEVOMDBO-UHFFFAOYSA-N
XLogP2.07
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 9494412
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639564
3-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9374487
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 78768790
4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide
CID 9494110
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 78768108
4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441778
N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 55734058
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 7918580

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide (CID 46822994) is N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N(C)CC(=O)Nc2ccccc2)c1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is TVNYLECEVOMDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15-9-10-16(2)18(13-15)28(26,27)21-12-11-20(25)23(3)14-19(24)22-17-7-5-4-6-8-17/h4-10,13,21H,11-12,14H2,1-3H3,(H,22,24).
What are the key properties of N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 403.50 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 46822994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).