2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide

C19H21N3O4S2 — CID 8522061

IUPAC2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide
SMILESCc1occc1-c1nnc(SCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)o1
InChIInChI=1S/C19H21N3O4S2/c1-11-13(7-8-25-11)16-21-22-18(26-16)27-10-14(23)15-6-5-12(28-15)9-20-17(24)19(2,3)4/h5-8H,9-10H2,1-4H3,(H,20,24)
InChIKeyYMIQFYFFPUGSGC-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.34
Rot. Bonds7

About 2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide

2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide (PubChem CID 8522061) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide
PubChem CID8522061
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC Name2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide
SMILESCc1occc1-c1nnc(SCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)o1
InChIInChI=1S/C19H21N3O4S2/c1-11-13(7-8-25-11)16-21-22-18(26-16)27-10-14(23)15-6-5-12(28-15)9-20-17(24)19(2,3)4/h5-8H,9-10H2,1-4H3,(H,20,24)
InChIKeyYMIQFYFFPUGSGC-UHFFFAOYSA-N
XLogP4.34
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide (CID 8522061) is 2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide is Cc1occc1-c1nnc(SCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)o1.
What is the InChIKey of 2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide?
The InChIKey is YMIQFYFFPUGSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-11-13(7-8-25-11)16-21-22-18(26-16)27-10-14(23)15-6-5-12(28-15)9-20-17(24)19(2,3)4/h5-8H,9-10H2,1-4H3,(H,20,24).
What are the key properties of 2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide?
2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide has a molecular weight of 419.53 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[5-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]propanamide is sourced from PubChem (CID 8522061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).