N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide

C14H13BrN2O5S2 — CID 3239591

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H13BrN2O5S2/c15-12-3-4-14(23-12)24(19,20)17-7-13(18)16-6-9-1-2-10-11(5-9)22-8-21-10/h1-5,17H,6-8H2,(H,16,18)
InChIKeyKVXIJSFKDMIRHE-UHFFFAOYSA-N
MW433.31 g/mol
LogP1.83
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide (PubChem CID 3239591) has the molecular formula C14H13BrN2O5S2 and a molecular weight of 433.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
PubChem CID3239591
Molecular FormulaC14H13BrN2O5S2
Molecular Weight433.31 g/mol
Exact Mass431.94
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H13BrN2O5S2/c15-12-3-4-14(23-12)24(19,20)17-7-13(18)16-6-9-1-2-10-11(5-9)22-8-21-10/h1-5,17H,6-8H2,(H,16,18)
InChIKeyKVXIJSFKDMIRHE-UHFFFAOYSA-N
XLogP1.83
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide (CID 3239591) is N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide?
The InChIKey is KVXIJSFKDMIRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O5S2/c15-12-3-4-14(23-12)24(19,20)17-7-13(18)16-6-9-1-2-10-11(5-9)22-8-21-10/h1-5,17H,6-8H2,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide has a molecular weight of 433.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide is sourced from PubChem (CID 3239591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).