N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide

C20H24Cl2N2O3S — CID 43897555

IUPACN-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCCC(CNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C20H24Cl2N2O3S/c1-3-15(11-16-7-5-4-6-8-16)13-23-20(25)14-24(28(2,26)27)19-12-17(21)9-10-18(19)22/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,23,25)
InChIKeySVMCDEBKSOLJQO-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.14
Rot. Bonds9

About N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide

N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 43897555) has the molecular formula C20H24Cl2N2O3S and a molecular weight of 443.40 g/mol. Its IUPAC name is N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID43897555
Molecular FormulaC20H24Cl2N2O3S
Molecular Weight443.40 g/mol
Exact Mass442.09
IUPAC NameN-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCCC(CNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C20H24Cl2N2O3S/c1-3-15(11-16-7-5-4-6-8-16)13-23-20(25)14-24(28(2,26)27)19-12-17(21)9-10-18(19)22/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,23,25)
InChIKeySVMCDEBKSOLJQO-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylbutyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 43895399
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43897556
2-[benzyl-[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132631400
N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 3465681
N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1095286
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
2-[(3-chlorophenyl)methyl-[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132635039
2-[(4-chlorophenyl)methyl-[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172055
2-[benzyl-[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-butan-2-yl-3-phenylpropanamide
CID 133226908
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133189363
2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113156897

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide (CID 43897555) is N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide is CCC(CNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)Cc1ccccc1.
What is the InChIKey of N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is SVMCDEBKSOLJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S/c1-3-15(11-16-7-5-4-6-8-16)13-23-20(25)14-24(28(2,26)27)19-12-17(21)9-10-18(19)22/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 443.40 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 43897555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).