4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide

C15H22Cl2N2O3S — CID 21366810

IUPAC4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-11(2)10-18-15(20)5-4-8-19(23(3,21)22)14-9-12(16)6-7-13(14)17/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,18,20)
InChIKeyUASGWOAZDAUVEX-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.31
Rot. Bonds8

About 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide

4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide (PubChem CID 21366810) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
PubChem CID21366810
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC Name4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-11(2)10-18-15(20)5-4-8-19(23(3,21)22)14-9-12(16)6-7-13(14)17/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,18,20)
InChIKeyUASGWOAZDAUVEX-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
CID 21367329
4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 53285441
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43905455
N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide
CID 113071973
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 132740126
N-[(3-chlorophenyl)methyl]-4-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 133205043
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 133190655
N-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichloro-N-methylsulfonylanilino)butanamide
CID 21367254
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 21366899
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 21367523
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]butanamide
CID 43885295
ethyl 4-[4-(2,5-dichloro-N-methylsulfonylanilino)butanoylamino]benzoate
CID 21368330

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide (CID 21366810) is 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide?
The InChIKey is UASGWOAZDAUVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O3S/c1-11(2)10-18-15(20)5-4-8-19(23(3,21)22)14-9-12(16)6-7-13(14)17/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,18,20).
What are the key properties of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide?
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide has a molecular weight of 381.33 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 21366810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).