2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide

C14H21N3O3S — CID 103171744

IUPAC2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)C(=O)NC2CC2)c1N
InChIInChI=1S/C14H21N3O3S/c1-8-4-5-9(2)13(12(8)15)21(19,20)17-10(3)14(18)16-11-6-7-11/h4-5,10-11,17H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyRQKPDBHVMVMJCE-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.83
Rot. Bonds5

About 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide

2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide (PubChem CID 103171744) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
PubChem CID103171744
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)C(=O)NC2CC2)c1N
InChIInChI=1S/C14H21N3O3S/c1-8-4-5-9(2)13(12(8)15)21(19,20)17-10(3)14(18)16-11-6-7-11/h4-5,10-11,17H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyRQKPDBHVMVMJCE-UHFFFAOYSA-N
XLogP0.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide (CID 103171744) is 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide is Cc1ccc(C)c(S(=O)(=O)NC(C)C(=O)NC2CC2)c1N.
What is the InChIKey of 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The InChIKey is RQKPDBHVMVMJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-8-4-5-9(2)13(12(8)15)21(19,20)17-10(3)14(18)16-11-6-7-11/h4-5,10-11,17H,6-7,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 103171744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).