2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide

C19H23FN2O3S2 — CID 132663633

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
SMILESCc1ccc(SCCNC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O3S2/c1-14-7-9-18(10-8-14)26-12-11-21-19(23)15(2)22(27(3,24)25)17-6-4-5-16(20)13-17/h4-10,13,15H,11-12H2,1-3H3,(H,21,23)
InChIKeyFQSRSMASBDTRND-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.20
Rot. Bonds8

About 2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide

2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide (PubChem CID 132663633) has the molecular formula C19H23FN2O3S2 and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
PubChem CID132663633
Molecular FormulaC19H23FN2O3S2
Molecular Weight410.54 g/mol
Exact Mass410.11
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
SMILESCc1ccc(SCCNC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O3S2/c1-14-7-9-18(10-8-14)26-12-11-21-19(23)15(2)22(27(3,24)25)17-6-4-5-16(20)13-17/h4-10,13,15H,11-12H2,1-3H3,(H,21,23)
InChIKeyFQSRSMASBDTRND-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylsulfanylethyl)propanamide
CID 132673780
(2S)-N-[2-(4-chlorophenyl)sulfanylethyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2232282
(2R)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 99132766
N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288474
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53288479
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132793
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 132663175
2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 132656825
2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
CID 133187984
N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288098
(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132583
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 132672533

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide (CID 132663633) is 2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide is Cc1ccc(SCCNC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The InChIKey is FQSRSMASBDTRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S2/c1-14-7-9-18(10-8-14)26-12-11-21-19(23)15(2)22(27(3,24)25)17-6-4-5-16(20)13-17/h4-10,13,15H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide has a molecular weight of 410.54 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide is sourced from PubChem (CID 132663633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).