3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide

C14H21N3O3S — CID 79379980

IUPAC3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCC(=O)NC2CC2)c1C
InChIInChI=1S/C14H21N3O3S/c1-9-7-11(15)8-13(10(9)2)21(19,20)16-6-5-14(18)17-12-3-4-12/h7-8,12,16H,3-6,15H2,1-2H3,(H,17,18)
InChIKeyNTLMETMDKMNKQI-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.83
Rot. Bonds6

About 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide

3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide (PubChem CID 79379980) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
PubChem CID79379980
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCC(=O)NC2CC2)c1C
InChIInChI=1S/C14H21N3O3S/c1-9-7-11(15)8-13(10(9)2)21(19,20)16-6-5-14(18)17-12-3-4-12/h7-8,12,16H,3-6,15H2,1-2H3,(H,17,18)
InChIKeyNTLMETMDKMNKQI-UHFFFAOYSA-N
XLogP0.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
CID 43553101
3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 79385378
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 116792003
N-(4-aminocyclohexyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 119475722
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 46272049
5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
CID 106119263
5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 28519081
N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide
CID 78954154
5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982651
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106165001
3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 79889074

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide (CID 79379980) is 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide is Cc1cc(N)cc(S(=O)(=O)NCCC(=O)NC2CC2)c1C.
What is the InChIKey of 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The InChIKey is NTLMETMDKMNKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9-7-11(15)8-13(10(9)2)21(19,20)16-6-5-14(18)17-12-3-4-12/h7-8,12,16H,3-6,15H2,1-2H3,(H,17,18).
What are the key properties of 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79379980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).