N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide

C12H19N3O3S — CID 54863561

IUPACN-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCc1c(NC(=O)CNC(C)C)cccc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-8(2)14-7-12(16)15-10-5-4-6-11(9(10)3)19(13,17)18/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18)
InChIKeyPSOJXDCVNVSFOF-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.58
Rot. Bonds5

About N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide

N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 54863561) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID54863561
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCc1c(NC(=O)CNC(C)C)cccc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-8(2)14-7-12(16)15-10-5-4-6-11(9(10)3)19(13,17)18/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18)
InChIKeyPSOJXDCVNVSFOF-UHFFFAOYSA-N
XLogP0.58
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
2-(cyclopentylamino)-N-(2-methyl-3-sulfamoylphenyl)acetamide
CID 60944911
2-methyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 60842887
ethyl 4-(2-methyl-3-sulfamoylanilino)-4-oxobutanoate
CID 61362191
2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 79196365
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 103211671
2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide
CID 65230250
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
N-(2-methyl-3-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61365433
N-(2-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 79044146

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide (CID 54863561) is N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide is Cc1c(NC(=O)CNC(C)C)cccc1S(N)(=O)=O.
What is the InChIKey of N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is PSOJXDCVNVSFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(2)14-7-12(16)15-10-5-4-6-11(9(10)3)19(13,17)18/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18).
What are the key properties of N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide?
N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 54863561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).