3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide

C20H25FN2O3S — CID 113142378

IUPAC3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCc1cc(C)cc(N(CCC(=O)NCCc2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C20H25FN2O3S/c1-15-12-16(2)14-18(13-15)23(27(3,25)26)11-9-20(24)22-10-8-17-6-4-5-7-19(17)21/h4-7,12-14H,8-11H2,1-3H3,(H,22,24)
InChIKeyUXWMMTQECUCJOV-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.96
Rot. Bonds8

About 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide

3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 113142378) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
PubChem CID113142378
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCc1cc(C)cc(N(CCC(=O)NCCc2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C20H25FN2O3S/c1-15-12-16(2)14-18(13-15)23(27(3,25)26)11-9-20(24)22-10-8-17-6-4-5-7-19(17)21/h4-7,12-14H,8-11H2,1-3H3,(H,22,24)
InChIKeyUXWMMTQECUCJOV-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113142379
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142352
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113068977
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113157688
N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
CID 113136483
N-[2-(2-fluorophenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31282077
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069002
N-[1-(butylamino)-1-oxopropan-2-yl]-4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 133151739
N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143155
3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143427
3-(N-acetyl-3,4-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113124504
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113144057

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide (CID 113142378) is 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide is Cc1cc(C)cc(N(CCC(=O)NCCc2ccccc2F)S(C)(=O)=O)c1.
What is the InChIKey of 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is UXWMMTQECUCJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-15-12-16(2)14-18(13-15)23(27(3,25)26)11-9-20(24)22-10-8-17-6-4-5-7-19(17)21/h4-7,12-14H,8-11H2,1-3H3,(H,22,24).
What are the key properties of 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 392.50 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 113142378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).