N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide

C20H26N2O4S — CID 113146440

IUPACN,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide
SMILESCCN(CC)C(=O)CCN(c1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-4-21(5-2)20(23)15-16-22(27(3,24)25)18-13-9-10-14-19(18)26-17-11-7-6-8-12-17/h6-14H,4-5,15-16H2,1-3H3
InChIKeyUSZOZAVPDKYDLS-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.50
Rot. Bonds9

About N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide

N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide (PubChem CID 113146440) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide
PubChem CID113146440
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide
SMILESCCN(CC)C(=O)CCN(c1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-4-21(5-2)20(23)15-16-22(27(3,24)25)18-13-9-10-14-19(18)26-17-11-7-6-8-12-17/h6-14H,4-5,15-16H2,1-3H3
InChIKeyUSZOZAVPDKYDLS-UHFFFAOYSA-N
XLogP3.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(2-methoxy-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113144524
N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30255339
N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide
CID 113142592
N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146267
4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide
CID 133202056
N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30271957
3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141498
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30262141
N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30265676
N-[2-(4-chlorophenyl)ethyl]-4-(N-methylsulfonyl-2-phenoxyanilino)butanamide
CID 100503199
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
3-(4-bromo-N-methylsulfonylanilino)-N,N-diethylpropanamide
CID 113144433

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide?
The IUPAC name of N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide (CID 113146440) is N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide?
The canonical SMILES for N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide is CCN(CC)C(=O)CCN(c1ccccc1Oc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide?
The InChIKey is USZOZAVPDKYDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-21(5-2)20(23)15-16-22(27(3,24)25)18-13-9-10-14-19(18)26-17-11-7-6-8-12-17/h6-14H,4-5,15-16H2,1-3H3.
What are the key properties of N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide?
N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide is sourced from PubChem (CID 113146440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).