(5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

C20H23NO6S — CID 7168338

IUPAC(5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H23NO6S/c1-14-4-7-18(8-5-14)28(24,25)21-11-10-20(23)27-13-17-12-16(15(2)22)6-9-19(17)26-3/h4-9,12,21H,10-11,13H2,1-3H3
InChIKeyFMYWVOVNQQVRQQ-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.62
Rot. Bonds9

About (5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

(5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 7168338) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID7168338
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H23NO6S/c1-14-4-7-18(8-5-14)28(24,25)21-11-10-20(23)27-13-17-12-16(15(2)22)6-9-19(17)26-3/h4-9,12,21H,10-11,13H2,1-3H3
InChIKeyFMYWVOVNQQVRQQ-UHFFFAOYSA-N
XLogP2.62
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate 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

CID 2363440
CID 2363440
CID 2399985
CID 2399985
CID 7912980
CID 7912980
CID 16229737
CID 16229737
CID 2415201
CID 2415201
CID 2418345
CID 2418345
CID 2550787
CID 2550787
CID 5024171
CID 5024171
CID 7828090
CID 7828090
CID 24818085
CID 24818085
CID 24916994
CID 24916994
CID 1327856
CID 1327856

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate (CID 7168338) is (5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate is COc1ccc(C(C)=O)cc1COC(=O)CCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is FMYWVOVNQQVRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-14-4-7-18(8-5-14)28(24,25)21-11-10-20(23)27-13-17-12-16(15(2)22)6-9-19(17)26-3/h4-9,12,21H,10-11,13H2,1-3H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate?
(5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 405.47 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7168338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).