N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide

C19H23N3O4S — CID 113154134

IUPACN-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1cccc(NC(C)=O)c1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-4-15-8-5-6-11-18(15)22(27(3,25)26)13-19(24)21-17-10-7-9-16(12-17)20-14(2)23/h5-12H,4,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyLDBQFVZTTWNFEN-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.61
Rot. Bonds7

About N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide

N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide (PubChem CID 113154134) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
PubChem CID113154134
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1cccc(NC(C)=O)c1)S(C)(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-4-15-8-5-6-11-18(15)22(27(3,25)26)13-19(24)21-17-10-7-9-16(12-17)20-14(2)23/h5-12H,4,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyLDBQFVZTTWNFEN-UHFFFAOYSA-N
XLogP2.61
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 113154121
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156816
N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249861
N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 1314993
N-(2-tert-butylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154127
2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2223877
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126035444
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155
N-(4-acetylphenyl)-3-(2-ethyl-N-methylsulfonylanilino)propanamide
CID 113142761
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide (CID 113154134) is N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide is CCc1ccccc1N(CC(=O)Nc1cccc(NC(C)=O)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is LDBQFVZTTWNFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-15-8-5-6-11-18(15)22(27(3,25)26)13-19(24)21-17-10-7-9-16(12-17)20-14(2)23/h5-12H,4,13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide?
N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 389.48 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113154134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).