N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide

C11H11Br2NO3S2 — CID 114233112

IUPACN-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide
SMILESO=C(CS(=O)CC(=O)c1cc(Br)sc1Br)NC1CC1
InChIInChI=1S/C11H11Br2NO3S2/c12-9-3-7(11(13)18-9)8(15)4-19(17)5-10(16)14-6-1-2-6/h3,6H,1-2,4-5H2,(H,14,16)
InChIKeySWWNFZYQTTZCNR-UHFFFAOYSA-N
MW429.16 g/mol
LogP2.48
Rot. Bonds6

About N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide

N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide (PubChem CID 114233112) has the molecular formula C11H11Br2NO3S2 and a molecular weight of 429.16 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide
PubChem CID114233112
Molecular FormulaC11H11Br2NO3S2
Molecular Weight429.16 g/mol
Exact Mass426.85
IUPAC NameN-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide
SMILESO=C(CS(=O)CC(=O)c1cc(Br)sc1Br)NC1CC1
InChIInChI=1S/C11H11Br2NO3S2/c12-9-3-7(11(13)18-9)8(15)4-19(17)5-10(16)14-6-1-2-6/h3,6H,1-2,4-5H2,(H,14,16)
InChIKeySWWNFZYQTTZCNR-UHFFFAOYSA-N
XLogP2.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.16
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide?
The IUPAC name of N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide (CID 114233112) is N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide is O=C(CS(=O)CC(=O)c1cc(Br)sc1Br)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide?
The InChIKey is SWWNFZYQTTZCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO3S2/c12-9-3-7(11(13)18-9)8(15)4-19(17)5-10(16)14-6-1-2-6/h3,6H,1-2,4-5H2,(H,14,16).
What are the key properties of N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide?
N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide has a molecular weight of 429.16 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]sulfinylacetamide is sourced from PubChem (CID 114233112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).