N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide

C13H21N3O3S — CID 60671270

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CNC(C)C)c1C
InChIInChI=1S/C13H21N3O3S/c1-8(2)15-7-13(17)16-12-6-11(20(14,18)19)5-9(3)10(12)4/h5-6,8,15H,7H2,1-4H3,(H,16,17)(H2,14,18,19)
InChIKeyKKCPTGICNQCCRD-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.89
Rot. Bonds5

About N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 60671270) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID60671270
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CNC(C)C)c1C
InChIInChI=1S/C13H21N3O3S/c1-8(2)15-7-13(17)16-12-6-11(20(14,18)19)5-9(3)10(12)4/h5-6,8,15H,7H2,1-4H3,(H,16,17)(H2,14,18,19)
InChIKeyKKCPTGICNQCCRD-UHFFFAOYSA-N
XLogP0.89
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60848496
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344
3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide
CID 62727374
N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 54863561
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141313
3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
CID 43684700
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119689597

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide (CID 60671270) is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)CNC(C)C)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is KKCPTGICNQCCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-8(2)15-7-13(17)16-12-6-11(20(14,18)19)5-9(3)10(12)4/h5-6,8,15H,7H2,1-4H3,(H,16,17)(H2,14,18,19).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 299.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60671270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).