2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide

C23H31N3O4S — CID 119037220

IUPAC2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide
SMILESCCN(CCNC(=O)C(C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1C
InChIInChI=1S/C23H31N3O4S/c1-6-26(21-10-8-7-9-17(21)2)16-15-24-22(28)23(4,25-18(3)27)19-11-13-20(14-12-19)31(5,29)30/h7-14H,6,15-16H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyDOIRNFHPWPBDBZ-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.39
Rot. Bonds9

About 2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide

2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide (PubChem CID 119037220) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide
PubChem CID119037220
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide
SMILESCCN(CCNC(=O)C(C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1C
InChIInChI=1S/C23H31N3O4S/c1-6-26(21-10-8-7-9-17(21)2)16-15-24-22(28)23(4,25-18(3)27)19-11-13-20(14-12-19)31(5,29)30/h7-14H,6,15-16H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyDOIRNFHPWPBDBZ-UHFFFAOYSA-N
XLogP2.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-(2-tert-butylsulfanylethyl)-2-(4-methylsulfonylphenyl)propanamide
CID 146091055
4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 55725426
N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide
CID 72689859
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703807
N-tert-butyl-2-[[N-[2-(N-ethyl-2-methylanilino)ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111384594
2-(N-ethyl-2-methylanilino)ethanol sulfate
CID 19002397
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119853428
4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 52608359
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62573232
N-[2-(N-ethyl-2-methylanilino)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55717682

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of 2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide (CID 119037220) is 2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for 2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide is CCN(CCNC(=O)C(C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1C.
What is the InChIKey of 2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide?
The InChIKey is DOIRNFHPWPBDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-6-26(21-10-8-7-9-17(21)2)16-15-24-22(28)23(4,25-18(3)27)19-11-13-20(14-12-19)31(5,29)30/h7-14H,6,15-16H2,1-5H3,(H,24,28)(H,25,27).
What are the key properties of 2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide?
2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide has a molecular weight of 445.59 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 119037220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).