2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide

C13H18Cl2N2O3S — CID 3138298

IUPAC2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-9(2)7-16-13(18)8-17(21(3,19)20)12-5-10(14)4-11(15)6-12/h4-6,9H,7-8H2,1-3H3,(H,16,18)
InChIKeySZMPSHLTRCVZGZ-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.53
Rot. Bonds6

About 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide

2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide (PubChem CID 3138298) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
PubChem CID3138298
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-9(2)7-16-13(18)8-17(21(3,19)20)12-5-10(14)4-11(15)6-12/h4-6,9H,7-8H2,1-3H3,(H,16,18)
InChIKeySZMPSHLTRCVZGZ-UHFFFAOYSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide
CID 113156834
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30168964
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895793
N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide
CID 20524752
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3917136
N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126121425
2-[benzyl-[2-(3,5-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132729328
2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide
CID 32755968
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113071997
4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 53285441
2-[[2-(3,5-dichloro-N-methylsulfonylanilino)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132749524
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30171025

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide (CID 3138298) is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is SZMPSHLTRCVZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-9(2)7-16-13(18)8-17(21(3,19)20)12-5-10(14)4-11(15)6-12/h4-6,9H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide?
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 353.27 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 3138298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).