N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide

C20H26N2O4S — CID 113145878

IUPACN-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESCCC(C)NC(=O)CCN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-4-16(2)21-20(23)14-15-22(27(3,24)25)17-10-12-19(13-11-17)26-18-8-6-5-7-9-18/h5-13,16H,4,14-15H2,1-3H3,(H,21,23)
InChIKeyNTXXTSWFMXBSHI-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.55
Rot. Bonds9

About N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide

N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide (PubChem CID 113145878) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
PubChem CID113145878
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESCCC(C)NC(=O)CCN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-4-16(2)21-20(23)14-15-22(27(3,24)25)17-10-12-19(13-11-17)26-18-8-6-5-7-9-18/h5-13,16H,4,14-15H2,1-3H3,(H,21,23)
InChIKeyNTXXTSWFMXBSHI-UHFFFAOYSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide 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-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2271012
N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 113145877
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 133243120
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100563560
3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide
CID 113146090
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92681417
N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145132
N-butan-2-yl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43891595
N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 113145244
(2S)-N-[(2R)-butan-2-yl]-2-[(4-fluorophenyl)methyl-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]amino]propanamide
CID 125073798
3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 113141895

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The IUPAC name of N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide (CID 113145878) is N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide is CCC(C)NC(=O)CCN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The InChIKey is NTXXTSWFMXBSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-16(2)21-20(23)14-15-22(27(3,24)25)17-10-12-19(13-11-17)26-18-8-6-5-7-9-18/h5-13,16H,4,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide is sourced from PubChem (CID 113145878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).