4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide

C20H24ClFN2O3S — CID 53287837

IUPAC4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
SMILESCc1c(Cl)cccc1N(CCCC(=O)NC(C)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C20H24ClFN2O3S/c1-14-18(21)6-4-7-19(14)24(28(3,26)27)13-5-8-20(25)23-15(2)16-9-11-17(22)12-10-16/h4,6-7,9-12,15H,5,8,13H2,1-3H3,(H,23,25)
InChIKeyMMVXPYOHGDSPCC-UHFFFAOYSA-N
MW426.94 g/mol
LogP4.21
Rot. Bonds8

About 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide

4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide (PubChem CID 53287837) has the molecular formula C20H24ClFN2O3S and a molecular weight of 426.94 g/mol. Its IUPAC name is 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
PubChem CID53287837
Molecular FormulaC20H24ClFN2O3S
Molecular Weight426.94 g/mol
Exact Mass426.12
IUPAC Name4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
SMILESCc1c(Cl)cccc1N(CCCC(=O)NC(C)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C20H24ClFN2O3S/c1-14-18(21)6-4-7-19(14)24(28(3,26)27)13-5-8-20(25)23-15(2)16-9-11-17(22)12-10-16/h4,6-7,9-12,15H,5,8,13H2,1-3H3,(H,23,25)
InChIKeyMMVXPYOHGDSPCC-UHFFFAOYSA-N
XLogP4.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide
CID 125048957
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]butanamide
CID 99132553
4-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 99132556
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43902097
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 92685083
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132422
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
CID 132665199
4-(2-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165749
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132545
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144019
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43905455
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]butanamide
CID 100526251

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide?
The IUPAC name of 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide (CID 53287837) is 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide is Cc1c(Cl)cccc1N(CCCC(=O)NC(C)c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide?
The InChIKey is MMVXPYOHGDSPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O3S/c1-14-18(21)6-4-7-19(14)24(28(3,26)27)13-5-8-20(25)23-15(2)16-9-11-17(22)12-10-16/h4,6-7,9-12,15H,5,8,13H2,1-3H3,(H,23,25).
What are the key properties of 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide?
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide has a molecular weight of 426.94 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 53287837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).