N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

C15H24N2O4S — CID 3139134

IUPACN-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC(C)CC)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-5-12(3)16-15(18)11-17(22(4,19)20)13-9-7-8-10-14(13)21-6-2/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)
InChIKeyCRRWZJRHTJXAPF-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.77
Rot. Bonds8

About N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 3139134) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID3139134
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC(C)CC)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-5-12(3)16-15(18)11-17(22(4,19)20)13-9-7-8-10-14(13)21-6-2/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)
InChIKeyCRRWZJRHTJXAPF-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 7318338
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100563293
N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139202
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99950083
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 28573016
2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide
CID 47409304
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30220367
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30384478
2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 30168858
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43895616
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 125067297
N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 846470

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 3139134) is N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)NC(C)CC)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is CRRWZJRHTJXAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-12(3)16-15(18)11-17(22(4,19)20)13-9-7-8-10-14(13)21-6-2/h7-10,12H,5-6,11H2,1-4H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 328.43 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3139134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).