N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

C19H24N2O4S — CID 2271012

IUPACN-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCC[C@H](C)NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-4-15(2)20-19(22)14-21(26(3,23)24)16-10-12-18(13-11-16)25-17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyFIBJEFORPWPMNG-HNNXBMFYSA-N
MW376.48 g/mol
LogP3.16
Rot. Bonds8

About N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (PubChem CID 2271012) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
PubChem CID2271012
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCC[C@H](C)NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-4-15(2)20-19(22)14-21(26(3,23)24)16-10-12-18(13-11-16)25-17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyFIBJEFORPWPMNG-HNNXBMFYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)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

N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 113145878
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100563560
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 133243120
N-butan-2-yl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43891595
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92681417
N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 3800769
N-[(1S)-3-methyl-1-phenylbutyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 92674290
N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 3138299
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100710395
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 38014585
N-[1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896190
(2S)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]amino]butanamide
CID 125085154

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (CID 2271012) is N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is CC[C@H](C)NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is FIBJEFORPWPMNG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-15(2)20-19(22)14-21(26(3,23)24)16-10-12-18(13-11-16)25-17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide has a molecular weight of 376.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 2271012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).