N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide

C20H24F2N2O3S — CID 132663587

IUPACN-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
SMILESCCCCc1ccc(NC(=O)C(C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24F2N2O3S/c1-4-5-6-15-7-9-16(10-8-15)23-20(25)14(2)24(28(3,26)27)17-11-12-18(21)19(22)13-17/h7-14H,4-6H2,1-3H3,(H,23,25)
InChIKeyGWLCFVWNQGDVEB-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.10
Rot. Bonds8

About N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide

N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide (PubChem CID 132663587) has the molecular formula C20H24F2N2O3S and a molecular weight of 410.49 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
PubChem CID132663587
Molecular FormulaC20H24F2N2O3S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC NameN-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
SMILESCCCCc1ccc(NC(=O)C(C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24F2N2O3S/c1-4-5-6-15-7-9-16(10-8-15)23-20(25)14(2)24(28(3,26)27)17-11-12-18(21)19(22)13-17/h7-14H,4-6H2,1-3H3,(H,23,25)
InChIKeyGWLCFVWNQGDVEB-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 99131979
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 99131874
(2R)-N-(4-butylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 2207210
N-(4-butylphenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide
CID 132666078
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 99131961
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-prop-2-enoxyphenyl)propanamide
CID 132663564
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 132661875
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 1265335
2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 2968377
(2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 100660301

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide (CID 132663587) is N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide is CCCCc1ccc(NC(=O)C(C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is GWLCFVWNQGDVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3S/c1-4-5-6-15-7-9-16(10-8-15)23-20(25)14(2)24(28(3,26)27)17-11-12-18(21)19(22)13-17/h7-14H,4-6H2,1-3H3,(H,23,25).
What are the key properties of N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide?
N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 410.49 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132663587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).