2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide

C18H20F2N2O3S — CID 43909489

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H20F2N2O3S/c1-3-17(13-7-5-4-6-8-13)21-18(23)12-22(26(2,24)25)14-9-10-15(19)16(20)11-14/h4-11,17H,3,12H2,1-2H3,(H,21,23)
InChIKeyWBCLPDMPQMZUCV-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.00
Rot. Bonds7

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide (PubChem CID 43909489) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide
PubChem CID43909489
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H20F2N2O3S/c1-3-17(13-7-5-4-6-8-13)21-18(23)12-22(26(2,24)25)14-9-10-15(19)16(20)11-14/h4-11,17H,3,12H2,1-2H3,(H,21,23)
InChIKeyWBCLPDMPQMZUCV-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 93486649
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 38008993
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 46771918
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92681417
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94012819
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 99130842
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 38015285
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133163045
N-[(1S)-1-phenylpropyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 30394084
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902646
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30244083
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30253344

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide (CID 43909489) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide is CCC(NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide?
The InChIKey is WBCLPDMPQMZUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-3-17(13-7-5-4-6-8-13)21-18(23)12-22(26(2,24)25)14-9-10-15(19)16(20)11-14/h4-11,17H,3,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide has a molecular weight of 382.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 43909489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).