[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate

C17H19NO5S2 — CID 47007875

IUPAC[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
SMILESCC(OC(=O)CCc1ccsc1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H19NO5S2/c1-12(23-16(19)8-3-13-9-10-24-11-13)17(20)14-4-6-15(7-5-14)18-25(2,21)22/h4-7,9-12,18H,3,8H2,1-2H3
InChIKeyDZAMNVAXQUOMPM-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.87
Rot. Bonds8

About [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate (PubChem CID 47007875) has the molecular formula C17H19NO5S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
PubChem CID47007875
Molecular FormulaC17H19NO5S2
Molecular Weight381.48 g/mol
Exact Mass381.07
IUPAC Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
SMILESCC(OC(=O)CCc1ccsc1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H19NO5S2/c1-12(23-16(19)8-3-13-9-10-24-11-13)17(20)14-4-6-15(7-5-14)18-25(2,21)22/h4-7,9-12,18H,3,8H2,1-2H3
InChIKeyDZAMNVAXQUOMPM-UHFFFAOYSA-N
XLogP2.87
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate?
The IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate (CID 47007875) is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate.
What is the SMILES notation for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate?
The canonical SMILES for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate is CC(OC(=O)CCc1ccsc1)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate?
The InChIKey is DZAMNVAXQUOMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S2/c1-12(23-16(19)8-3-13-9-10-24-11-13)17(20)14-4-6-15(7-5-14)18-25(2,21)22/h4-7,9-12,18H,3,8H2,1-2H3.
What are the key properties of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate?
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate has a molecular weight of 381.48 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate is sourced from PubChem (CID 47007875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).