2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide

C14H23N3O3S — CID 107328705

IUPAC2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1c(C)cc(NC)cc1C
InChIInChI=1S/C14H23N3O3S/c1-5-6-16-13(18)9-17-21(19,20)14-10(2)7-12(15-4)8-11(14)3/h7-8,15,17H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyDPVNEGQNIUFYDJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.15
Rot. Bonds7

About 2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide

2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide (PubChem CID 107328705) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide
PubChem CID107328705
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1c(C)cc(NC)cc1C
InChIInChI=1S/C14H23N3O3S/c1-5-6-16-13(18)9-17-21(19,20)14-10(2)7-12(15-4)8-11(14)3/h7-8,15,17H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyDPVNEGQNIUFYDJ-UHFFFAOYSA-N
XLogP1.15
TPSA87.30 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 ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide
CID 60628452
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 107327408
2-[(4-hydrazinyl-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327783
N-(3-chloro-4-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112998200
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
N-propyl-2-(propylsulfonylamino)acetamide
CID 61383991
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 43567163
2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide
CID 54895536
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 60824850
2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331213
N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 772299

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide (CID 107328705) is 2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1c(C)cc(NC)cc1C.
What is the InChIKey of 2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide?
The InChIKey is DPVNEGQNIUFYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-6-16-13(18)9-17-21(19,20)14-10(2)7-12(15-4)8-11(14)3/h7-8,15,17H,5-6,9H2,1-4H3,(H,16,18).
What are the key properties of 2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide?
2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide has a molecular weight of 313.42 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 107328705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).