N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide

C20H26N2O4S — CID 113145877

IUPACN-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESCC(C)CNC(=O)CCN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-16(2)15-21-20(23)13-14-22(27(3,24)25)17-9-11-19(12-10-17)26-18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3,(H,21,23)
InChIKeyLFGUDXBLSNTYGX-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.41
Rot. Bonds9

About N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide

N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide (PubChem CID 113145877) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
PubChem CID113145877
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESCC(C)CNC(=O)CCN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-16(2)15-21-20(23)13-14-22(27(3,24)25)17-9-11-19(12-10-17)26-18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3,(H,21,23)
InChIKeyLFGUDXBLSNTYGX-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide
CID 113145049
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 113144856
N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 113145878
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
N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2271012
N-(2-methylpropyl)-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 113145243
3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide
CID 113145047
N-[(1S)-3-methyl-1-phenylbutyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 92674290
3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 113141895
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 38014585
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100710395

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide (CID 113145877) is N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide is CC(C)CNC(=O)CCN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The InChIKey is LFGUDXBLSNTYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-16(2)15-21-20(23)13-14-22(27(3,24)25)17-9-11-19(12-10-17)26-18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3,(H,21,23).
What are the key properties of N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide is sourced from PubChem (CID 113145877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).