N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide

C16H26N2O3S — CID 113058249

IUPACN-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCCCCS(=O)(=O)NCCN(C(C)=O)c1cccc(C)c1C
InChIInChI=1S/C16H26N2O3S/c1-5-6-12-22(20,21)17-10-11-18(15(4)19)16-9-7-8-13(2)14(16)3/h7-9,17H,5-6,10-12H2,1-4H3
InChIKeySBBLSGNDXNFZND-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.38
Rot. Bonds8

About N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide

N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 113058249) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID113058249
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCCCCS(=O)(=O)NCCN(C(C)=O)c1cccc(C)c1C
InChIInChI=1S/C16H26N2O3S/c1-5-6-12-22(20,21)17-10-11-18(15(4)19)16-9-7-8-13(2)14(16)3/h7-9,17H,5-6,10-12H2,1-4H3
InChIKeySBBLSGNDXNFZND-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766
N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113059773
N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
CID 113063208
N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113059789
N-[2-(methanesulfonamido)ethyl]-N-(2-methylphenyl)acetamide
CID 113057355
2-(N-acetyl-2,3-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168897
N-(2,6-dimethylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113058169
N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 113061347
N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062931
N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062819
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113070022
3-(N-acetyl-2,3-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113125073

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide (CID 113058249) is N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide is CCCCS(=O)(=O)NCCN(C(C)=O)c1cccc(C)c1C.
What is the InChIKey of N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is SBBLSGNDXNFZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-6-12-22(20,21)17-10-11-18(15(4)19)16-9-7-8-13(2)14(16)3/h7-9,17H,5-6,10-12H2,1-4H3.
What are the key properties of N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide?
N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 326.46 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 113058249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).