N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C19H25N3O4S — CID 119420945

IUPACN-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(N)c(NC(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25N3O4S/c1-12-9-13(2)19(14(3)10-12)27(24,25)21-8-7-18(23)22-17-11-15(26-4)5-6-16(17)20/h5-6,9-11,21H,7-8,20H2,1-4H3,(H,22,23)
InChIKeyPXXZJMIOGXCFPT-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.51
Rot. Bonds7

About N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 119420945) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID119420945
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(N)c(NC(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H25N3O4S/c1-12-9-13(2)19(14(3)10-12)27(24,25)21-8-7-18(23)22-17-11-15(26-4)5-6-16(17)20/h5-6,9-11,21H,7-8,20H2,1-4H3,(H,22,23)
InChIKeyPXXZJMIOGXCFPT-UHFFFAOYSA-N
XLogP2.51
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 27253650
N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 120569314
N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 51166424
N-(4-ethoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26561482
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
N-(2-fluorophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26584303
N-(4-bromo-2-hydroxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 60513132
N-(3-chloro-4-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26822921
N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide
CID 119421581
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropylsulfonyl)propanamide;hydrochloride
CID 119420984
N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide
CID 119421695
N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119421073

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 119420945) is N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is COc1ccc(N)c(NC(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is PXXZJMIOGXCFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-12-9-13(2)19(14(3)10-12)27(24,25)21-8-7-18(23)22-17-11-15(26-4)5-6-16(17)20/h5-6,9-11,21H,7-8,20H2,1-4H3,(H,22,23).
What are the key properties of N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 391.49 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 119420945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).