N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide

C18H26N2O4S — CID 54531037

IUPACN-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide
SMILESCc1cc(CCCCCCCOc2csc(C(=O)NCCO)c2)on1
InChIInChI=1S/C18H26N2O4S/c1-14-11-15(24-20-14)7-5-3-2-4-6-10-23-16-12-17(25-13-16)18(22)19-8-9-21/h11-13,21H,2-10H2,1H3,(H,19,22)
InChIKeyYWOCPLCLKUUPHB-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.34
Rot. Bonds12

About N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide

N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide (PubChem CID 54531037) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide
PubChem CID54531037
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide
SMILESCc1cc(CCCCCCCOc2csc(C(=O)NCCO)c2)on1
InChIInChI=1S/C18H26N2O4S/c1-14-11-15(24-20-14)7-5-3-2-4-6-10-23-16-12-17(25-13-16)18(22)19-8-9-21/h11-13,21H,2-10H2,1H3,(H,19,22)
InChIKeyYWOCPLCLKUUPHB-UHFFFAOYSA-N
XLogP3.34
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide (CID 54531037) is N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide is Cc1cc(CCCCCCCOc2csc(C(=O)NCCO)c2)on1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide?
The InChIKey is YWOCPLCLKUUPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-11-15(24-20-14)7-5-3-2-4-6-10-23-16-12-17(25-13-16)18(22)19-8-9-21/h11-13,21H,2-10H2,1H3,(H,19,22).
What are the key properties of N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide?
N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 3.34, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide is sourced from PubChem (CID 54531037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).