methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate

C19H24N2O5S — CID 18678924

IUPACmethyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate
SMILESCOC(=O)CCN(CCc1ccc(OC)cc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C19H24N2O5S/c1-25-17-7-3-15(4-8-17)11-13-21(14-12-19(22)26-2)27(23,24)18-9-5-16(20)6-10-18/h3-10H,11-14,20H2,1-2H3
InChIKeyKZPKSHFDZPQQPS-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.07
Rot. Bonds9

About methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate

methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate (PubChem CID 18678924) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate
PubChem CID18678924
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Namemethyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate
SMILESCOC(=O)CCN(CCc1ccc(OC)cc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C19H24N2O5S/c1-25-17-7-3-15(4-8-17)11-13-21(14-12-19(22)26-2)27(23,24)18-9-5-16(20)6-10-18/h3-10H,11-14,20H2,1-2H3
InChIKeyKZPKSHFDZPQQPS-UHFFFAOYSA-N
XLogP2.07
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(4-methoxyphenyl)ethyl-(3-nitrophenyl)sulfonylamino]propanoate
CID 18678869
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
methyl 3-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]propanoate
CID 61114911
methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
CID 61009529
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213
2-[[2-(4-methoxyphenyl)ethyl-(4-methoxyphenyl)sulfonylamino]methyl]butanoic acid
CID 70003352
methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate
CID 61011338
N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide
CID 71452286
methyl 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoate
CID 60712386
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
N-[(2E)-2-hydroxyiminoethyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 71531694
N,N-bis[2-[bis[(4-methoxyphenyl)sulfonyl]amino]ethyl]-4-methoxybenzenesulfonamide
CID 101372665

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate?
The IUPAC name of methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate (CID 18678924) is methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate?
The canonical SMILES for methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate is COC(=O)CCN(CCc1ccc(OC)cc1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate?
The InChIKey is KZPKSHFDZPQQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-25-17-7-3-15(4-8-17)11-13-21(14-12-19(22)26-2)27(23,24)18-9-5-16(20)6-10-18/h3-10H,11-14,20H2,1-2H3.
What are the key properties of methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate?
methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate has a molecular weight of 392.48 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-aminophenyl)sulfonyl-[2-(4-methoxyphenyl)ethyl]amino]propanoate is sourced from PubChem (CID 18678924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).