N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide

C19H24N2O3S — CID 53285343

IUPACN-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide
SMILESCc1cccc(N(CCCC(=O)NCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-16-8-6-11-18(14-16)21(25(2,23)24)13-7-12-19(22)20-15-17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,20,22)
InChIKeyPZRSFSJUPRHUNO-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.86
Rot. Bonds8

About N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide

N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide (PubChem CID 53285343) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide
PubChem CID53285343
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide
SMILESCc1cccc(N(CCCC(=O)NCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-16-8-6-11-18(14-16)21(25(2,23)24)13-7-12-19(22)20-15-17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,20,22)
InChIKeyPZRSFSJUPRHUNO-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285185
4-(4-chloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]butanamide
CID 53285283
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285488
N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
CID 9173648
N-(3-methylbutyl)-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 9172781
4-(3-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172594
N-[[4-(dimethylamino)phenyl]methyl]-4-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 53288361
3-(3-acetyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113145325
N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28635475
N-[(4-fluorophenyl)methyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 53288234
3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113141766

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide (CID 53285343) is N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide is Cc1cccc(N(CCCC(=O)NCc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide?
The InChIKey is PZRSFSJUPRHUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-16-8-6-11-18(14-16)21(25(2,23)24)13-7-12-19(22)20-15-17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide?
N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide has a molecular weight of 360.48 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53285343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).