2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide

C13H20N2O3S2 — CID 61132847

IUPAC2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)CSC(C)(C)C
InChIInChI=1S/C13H20N2O3S2/c1-9-7-10(20(14,17)18)5-6-11(9)15-12(16)8-19-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyCZRGIUVAMYNELN-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.11
Rot. Bonds4

About 2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide

2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide (PubChem CID 61132847) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide
PubChem CID61132847
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)CSC(C)(C)C
InChIInChI=1S/C13H20N2O3S2/c1-9-7-10(20(14,17)18)5-6-11(9)15-12(16)8-19-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyCZRGIUVAMYNELN-UHFFFAOYSA-N
XLogP2.11
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208716
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-tert-butylsulfanylacetamide
CID 60814387
2-cyclobutyl-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 103164399
2-ethyl-N-(2-methyl-4-sulfamoylphenyl)butanamide
CID 43246558
N-(2-methyl-4-sulfamoylphenyl)piperidine-1-carboxamide
CID 79155124
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide
CID 78780727
2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9141642
N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide
CID 61129990
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide (CID 61132847) is 2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The InChIKey is CZRGIUVAMYNELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-9-7-10(20(14,17)18)5-6-11(9)15-12(16)8-19-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide?
2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide has a molecular weight of 316.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 61132847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).