N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide

C11H16N2O3S2 — CID 2465537

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H16N2O3S2/c1-13(2)18(15,16)10-6-4-9(5-7-10)12-11(14)8-17-3/h4-7H,8H2,1-3H3,(H,12,14)
InChIKeyNWZJNYMUUWZZSK-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.24
Rot. Bonds5

About N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide (PubChem CID 2465537) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
PubChem CID2465537
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H16N2O3S2/c1-13(2)18(15,16)10-6-4-9(5-7-10)12-11(14)8-17-3/h4-7H,8H2,1-3H3,(H,12,14)
InChIKeyNWZJNYMUUWZZSK-UHFFFAOYSA-N
XLogP1.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 2099003
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
2-(diethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17432578
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2616332
N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
CID 9457949
2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 60867627
2-[2-(azepan-1-yl)ethylsulfanyl]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 134064419
3-acetamido-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 2082690
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439115
N-[4-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2088011
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 3393870

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide (CID 2465537) is N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide is CSCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide?
The InChIKey is NWZJNYMUUWZZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-13(2)18(15,16)10-6-4-9(5-7-10)12-11(14)8-17-3/h4-7H,8H2,1-3H3,(H,12,14).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide has a molecular weight of 288.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 2465537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).