N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide

C18H21BrN2O4S — CID 132672273

IUPACN-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1ccccc1Br)N(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C18H21BrN2O4S/c1-4-17(18(22)20-16-11-6-5-10-15(16)19)21(26(3,23)24)13-8-7-9-14(12-13)25-2/h5-12,17H,4H2,1-3H3,(H,20,22)
InChIKeyWFLHBTRZOBYYFY-UHFFFAOYSA-N
MW441.35 g/mol
LogP3.64
Rot. Bonds7

About N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide

N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 132672273) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID132672273
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC NameN-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1ccccc1Br)N(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C18H21BrN2O4S/c1-4-17(18(22)20-16-11-6-5-10-15(16)19)21(26(3,23)24)13-8-7-9-14(12-13)25-2/h5-12,17H,4H2,1-3H3,(H,20,22)
InChIKeyWFLHBTRZOBYYFY-UHFFFAOYSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-(3-methyl-N-methylsulfonylanilino)butanamide
CID 132667710
N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132669279
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229418
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide
CID 132670026
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide
CID 95118832
N-[3-(2-chlorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132671760
N-[3-(4-fluorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132666868
N-[1-(4-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132663188
(2S)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 100763442
2-(3-methoxy-N-methylsulfonylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133234955
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 132662747
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 132663846

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide (CID 132672273) is N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide is CCC(C(=O)Nc1ccccc1Br)N(c1cccc(OC)c1)S(C)(=O)=O.
What is the InChIKey of N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is WFLHBTRZOBYYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-4-17(18(22)20-16-11-6-5-10-15(16)19)21(26(3,23)24)13-8-7-9-14(12-13)25-2/h5-12,17H,4H2,1-3H3,(H,20,22).
What are the key properties of N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide?
N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 441.35 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132672273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).