methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate

C20H19NO4S2 — CID 39983352

IUPACmethyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)C[C@@H](NS(=O)(=O)c1ccccc1-c1ccccc1)c1cccs1
InChIInChI=1S/C20H19NO4S2/c1-25-20(22)14-17(18-11-7-13-26-18)21-27(23,24)19-12-6-5-10-16(19)15-8-3-2-4-9-15/h2-13,17,21H,14H2,1H3/t17-/m1/s1
InChIKeyNAUZIFLOVHJKBU-QGZVFWFLSA-N
MW401.51 g/mol
LogP4.00
Rot. Bonds7

About methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate

methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate (PubChem CID 39983352) has the molecular formula C20H19NO4S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
PubChem CID39983352
Molecular FormulaC20H19NO4S2
Molecular Weight401.51 g/mol
Exact Mass401.08
IUPAC Namemethyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)C[C@@H](NS(=O)(=O)c1ccccc1-c1ccccc1)c1cccs1
InChIInChI=1S/C20H19NO4S2/c1-25-20(22)14-17(18-11-7-13-26-18)21-27(23,24)19-12-6-5-10-16(19)15-8-3-2-4-9-15/h2-13,17,21H,14H2,1H3/t17-/m1/s1
InChIKeyNAUZIFLOVHJKBU-QGZVFWFLSA-N
XLogP4.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate
CID 60715441
methyl 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 46514661
methyl 3-[(4-methoxyphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate
CID 46514642
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]propanoic acid
CID 43714462
methyl (3S)-3-(cyclohexylmethylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 95733855
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 46514669
3-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897987
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
methyl 3-(1-methylsulfonylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 64630549
N-[(2S)-1-methoxypropan-2-yl]-2-phenylbenzenesulfonamide
CID 39977591
methyl 3-[(2-hydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724977
methyl (3S)-3-(3-phenylpropanoylamino)-3-thiophen-2-ylpropanoate
CID 94062744

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate (CID 39983352) is methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate is COC(=O)C[C@@H](NS(=O)(=O)c1ccccc1-c1ccccc1)c1cccs1.
What is the InChIKey of methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate?
The InChIKey is NAUZIFLOVHJKBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19NO4S2/c1-25-20(22)14-17(18-11-7-13-26-18)21-27(23,24)19-12-6-5-10-16(19)15-8-3-2-4-9-15/h2-13,17,21H,14H2,1H3/t17-/m1/s1.
What are the key properties of methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate?
methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate has a molecular weight of 401.51 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(2-phenylphenyl)sulfonylamino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 39983352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).