3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide

C20H26N2O4S — CID 113136792

IUPAC3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-3-4-15-22(27(2,24)25)16-14-20(23)21-18-12-8-9-13-19(18)26-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,21,23)
InChIKeyKRGZAFAFLVXKMD-UHFFFAOYSA-N
MW390.50 g/mol
LogP3.87
Rot. Bonds10

About 3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide

3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide (PubChem CID 113136792) has the molecular formula C20H26N2O4S and a molecular weight of 390.50 g/mol. Its IUPAC name is 3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide
PubChem CID113136792
Molecular FormulaC20H26N2O4S
Molecular Weight390.50 g/mol
Exact Mass390.16
IUPAC Name3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-3-4-15-22(27(2,24)25)16-14-20(23)21-18-12-8-9-13-19(18)26-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,21,23)
InChIKeyKRGZAFAFLVXKMD-UHFFFAOYSA-N
XLogP3.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113148410
N-(2-phenoxyphenyl)decanamide
CID 4091110
3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide
CID 113136736
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
CID 113141302
3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 109023136
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide
CID 100582106
3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136791
2-(pentylamino)-N-(2-phenoxyphenyl)acetamide
CID 109006006
3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide
CID 113126798
3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113136668
2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide
CID 2095155
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide (CID 113136792) is 3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide is CCCCN(CCC(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide?
The InChIKey is KRGZAFAFLVXKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-4-15-22(27(2,24)25)16-14-20(23)21-18-12-8-9-13-19(18)26-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,21,23).
What are the key properties of 3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide?
3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide has a molecular weight of 390.50 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 113136792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).