N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide

C12H19N3O3S — CID 112688467

IUPACN-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(2)7-15-12(16)8-14-10-3-5-11(6-4-10)19(13,17)18/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)(H2,13,17,18)
InChIKeyYQMVHQMTXBPYHE-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.52
Rot. Bonds6

About N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide

N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide (PubChem CID 112688467) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide
PubChem CID112688467
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(2)7-15-12(16)8-14-10-3-5-11(6-4-10)19(13,17)18/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)(H2,13,17,18)
InChIKeyYQMVHQMTXBPYHE-UHFFFAOYSA-N
XLogP0.52
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
CID 28579456
N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115571074
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980
N-(2-methylpropyl)-2-(4-phenylanilino)acetamide
CID 60647076
2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide
CID 133360538
2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide
CID 4806491
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
N-(2-hydroxypropyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508709
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide (CID 112688467) is N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide is CC(C)CNC(=O)CNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide?
The InChIKey is YQMVHQMTXBPYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(2)7-15-12(16)8-14-10-3-5-11(6-4-10)19(13,17)18/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)(H2,13,17,18).
What are the key properties of N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide?
N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide is sourced from PubChem (CID 112688467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).