2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide

C14H23N3O3S — CID 106277873

IUPAC2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCC(C)(C)C(N)=O
InChIInChI=1S/C14H23N3O3S/c1-10(2)17-21(19,20)12-8-6-5-7-11(12)16-9-14(3,4)13(15)18/h5-8,10,16-17H,9H2,1-4H3,(H2,15,18)
InChIKeyWTSRMMOMYKNXFL-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.30
Rot. Bonds7

About 2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide

2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide (PubChem CID 106277873) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
PubChem CID106277873
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCC(C)(C)C(N)=O
InChIInChI=1S/C14H23N3O3S/c1-10(2)17-21(19,20)12-8-6-5-7-11(12)16-9-14(3,4)13(15)18/h5-8,10,16-17H,9H2,1-4H3,(H2,15,18)
InChIKeyWTSRMMOMYKNXFL-UHFFFAOYSA-N
XLogP1.30
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide
CID 106277705
2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106170761
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 103354049
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 168641055
2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid
CID 79790485
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
N-cyclopropyl-2-[2-(propan-2-ylsulfamoyl)anilino]acetamide
CID 43568444
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide (CID 106277873) is 2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide is CC(C)NS(=O)(=O)c1ccccc1NCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide?
The InChIKey is WTSRMMOMYKNXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(2)17-21(19,20)12-8-6-5-7-11(12)16-9-14(3,4)13(15)18/h5-8,10,16-17H,9H2,1-4H3,(H2,15,18).
What are the key properties of 2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide?
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide has a molecular weight of 313.42 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide is sourced from PubChem (CID 106277873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).