N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide

C14H17N3O5S3 — CID 55678440

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CNS(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C14H17N3O5S3/c1-9-6-11(24(15,19)20)7-12(10(9)2)17-13(18)8-16-25(21,22)14-4-3-5-23-14/h3-7,16H,8H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyXKGSTJSSIKJQNX-UHFFFAOYSA-N
MW403.51 g/mol
LogP0.93
Rot. Bonds6

About N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 55678440) has the molecular formula C14H17N3O5S3 and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID55678440
Molecular FormulaC14H17N3O5S3
Molecular Weight403.51 g/mol
Exact Mass403.03
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CNS(=O)(=O)c2cccs2)c1C
InChIInChI=1S/C14H17N3O5S3/c1-9-6-11(24(15,19)20)7-12(10(9)2)17-13(18)8-16-25(21,22)14-4-3-5-23-14/h3-7,16H,8H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyXKGSTJSSIKJQNX-UHFFFAOYSA-N
XLogP0.93
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31973756
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995651
N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 3238020
2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60848496
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 55676636
N-(4-acetylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995650
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-(3-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615673
N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615674
N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616390

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide (CID 55678440) is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)CNS(=O)(=O)c2cccs2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is XKGSTJSSIKJQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S3/c1-9-6-11(24(15,19)20)7-12(10(9)2)17-13(18)8-16-25(21,22)14-4-3-5-23-14/h3-7,16H,8H2,1-2H3,(H,17,18)(H2,15,19,20).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 403.51 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 55678440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).