methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate

C15H17NO5S2 — CID 46514642

IUPACmethyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NS(=O)(=O)c1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C15H17NO5S2/c1-20-11-5-7-12(8-6-11)23(18,19)16-13(10-15(17)21-2)14-4-3-9-22-14/h3-9,13,16H,10H2,1-2H3
InChIKeyDIXPWCJZXCQWOP-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.34
Rot. Bonds7

About methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate

methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate (PubChem CID 46514642) has the molecular formula C15H17NO5S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
PubChem CID46514642
Molecular FormulaC15H17NO5S2
Molecular Weight355.44 g/mol
Exact Mass355.05
IUPAC Namemethyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NS(=O)(=O)c1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C15H17NO5S2/c1-20-11-5-7-12(8-6-11)23(18,19)16-13(10-15(17)21-2)14-4-3-9-22-14/h3-9,13,16H,10H2,1-2H3
InChIKeyDIXPWCJZXCQWOP-UHFFFAOYSA-N
XLogP2.34
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate
CID 60715441
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 46514669
methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
CID 39983352
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid
CID 43714462
methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46534149
3-[(4-chlorophenyl)sulfonylamino]-3-thiophen-2-ylpropanoic acid
CID 3655458
methyl 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 46514661
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide
CID 90524151
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
methyl (3S)-3-(cyclohexylmethylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 95733855
methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate
CID 139616851
methyl 3-(1-methylsulfonylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 64630549

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate (CID 46514642) is methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NS(=O)(=O)c1ccc(OC)cc1)c1cccs1.
What is the InChIKey of methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate?
The InChIKey is DIXPWCJZXCQWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S2/c1-20-11-5-7-12(8-6-11)23(18,19)16-13(10-15(17)21-2)14-4-3-9-22-14/h3-9,13,16H,10H2,1-2H3.
What are the key properties of methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate?
methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate has a molecular weight of 355.44 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 46514642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).