2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate

C16H16NO5S- — CID 4124714

IUPAC2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NC(C)C(=O)[O-])cc1
InChIInChI=1S/C16H17NO5S/c1-11-5-3-4-6-15(11)22-13-7-9-14(10-8-13)23(20,21)17-12(2)16(18)19/h3-10,12,17H,1-2H3,(H,18,19)/p-1
InChIKeyBEVDAZGEAPNZSM-UHFFFAOYSA-M
MW334.37 g/mol
LogP1.20
Rot. Bonds6

About 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate

2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate (PubChem CID 4124714) has the molecular formula C16H16NO5S- and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate.

Molecular Properties

Compound Name2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate
PubChem CID4124714
Molecular FormulaC16H16NO5S-
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NC(C)C(=O)[O-])cc1
InChIInChI=1S/C16H17NO5S/c1-11-5-3-4-6-15(11)22-13-7-9-14(10-8-13)23(20,21)17-12(2)16(18)19/h3-10,12,17H,1-2H3,(H,18,19)/p-1
InChIKeyBEVDAZGEAPNZSM-UHFFFAOYSA-M
XLogP1.20
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoate
CID 7045621
(2R)-3-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]butanoic acid
CID 93216961
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874
4-(2-methylphenoxy)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121177004
4-(2-methylphenoxy)benzoate
CID 7010211
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 44669136
N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide
CID 3508637
2-(2-methylphenoxy)ethyl 2-(benzenesulfonamido)propanoate
CID 55326748
1-[[4-(2-methylphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 44669131
4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 3518199
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 42463282
2-phenoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 8752850

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate?
The IUPAC name of 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate (CID 4124714) is 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate.
What is the SMILES notation for 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate?
The canonical SMILES for 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate is Cc1ccccc1Oc1ccc(S(=O)(=O)NC(C)C(=O)[O-])cc1.
What is the InChIKey of 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate?
The InChIKey is BEVDAZGEAPNZSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17NO5S/c1-11-5-3-4-6-15(11)22-13-7-9-14(10-8-13)23(20,21)17-12(2)16(18)19/h3-10,12,17H,1-2H3,(H,18,19)/p-1.
What are the key properties of 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate?
2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate has a molecular weight of 334.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate is sourced from PubChem (CID 4124714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).