2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide

C18H23N3O4S3 — CID 19971089

IUPAC2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide
SMILESCNC(=O)NS(=O)(=O)c1cc(CC(=O)NC(C)(C)c2cccs2)ccc1SC
InChIInChI=1S/C18H23N3O4S3/c1-18(2,15-6-5-9-27-15)20-16(22)11-12-7-8-13(26-4)14(10-12)28(24,25)21-17(23)19-3/h5-10H,11H2,1-4H3,(H,20,22)(H2,19,21,23)
InChIKeyNYFYQWSMZQKJCI-UHFFFAOYSA-N
MW441.60 g/mol
LogP2.68
Rot. Bonds7

About 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide

2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide (PubChem CID 19971089) has the molecular formula C18H23N3O4S3 and a molecular weight of 441.60 g/mol. Its IUPAC name is 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide
PubChem CID19971089
Molecular FormulaC18H23N3O4S3
Molecular Weight441.60 g/mol
Exact Mass441.09
IUPAC Name2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide
SMILESCNC(=O)NS(=O)(=O)c1cc(CC(=O)NC(C)(C)c2cccs2)ccc1SC
InChIInChI=1S/C18H23N3O4S3/c1-18(2,15-6-5-9-27-15)20-16(22)11-12-7-8-13(26-4)14(10-12)28(24,25)21-17(23)19-3/h5-10H,11H2,1-4H3,(H,20,22)(H2,19,21,23)
InChIKeyNYFYQWSMZQKJCI-UHFFFAOYSA-N
XLogP2.68
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-[2-(1H-pyrrol-2-yl)propan-2-yl]acetamide
CID 19971102
2-(4-fluorophenyl)-N-(2-thiophen-2-ylpropan-2-yl)acetamide
CID 110870545
2-[4-methyl-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 19971201
2-[4-methoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
CID 19971094
2-[4-ethoxy-3-(methylcarbamothioylsulfamoyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 19971228
(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)propanamide
CID 119325779
1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
CID 110870552
(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide
CID 119325785
2-[4-ethoxy-3-(methylcarbamoylsulfamoyl)phenyl]-N-(1-thiophen-3-ylethyl)acetamide
CID 19971229
3-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylpropan-2-yl)propanamide
CID 71866753
1,1-dimethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
CID 110870551
2-amino-N-(2-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119325781

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide?
The IUPAC name of 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide (CID 19971089) is 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide is CNC(=O)NS(=O)(=O)c1cc(CC(=O)NC(C)(C)c2cccs2)ccc1SC.
What is the InChIKey of 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide?
The InChIKey is NYFYQWSMZQKJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S3/c1-18(2,15-6-5-9-27-15)20-16(22)11-12-7-8-13(26-4)14(10-12)28(24,25)21-17(23)19-3/h5-10H,11H2,1-4H3,(H,20,22)(H2,19,21,23).
What are the key properties of 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide?
2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide has a molecular weight of 441.60 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylcarbamoylsulfamoyl)-4-methylsulfanylphenyl]-N-(2-thiophen-2-ylpropan-2-yl)acetamide is sourced from PubChem (CID 19971089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).