N-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide

C19H22N2O4S — CID 7243507

IUPACN-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1(c2cccs2)CCOCC1
InChIInChI=1S/C19H22N2O4S/c1-13(22)20-14-5-6-16(24-2)15(12-14)21-18(23)19(7-9-25-10-8-19)17-4-3-11-26-17/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBYCPRFBAATXMFU-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.40
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243507) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243507
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1(c2cccs2)CCOCC1
InChIInChI=1S/C19H22N2O4S/c1-13(22)20-14-5-6-16(24-2)15(12-14)21-18(23)19(7-9-25-10-8-19)17-4-3-11-26-17/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBYCPRFBAATXMFU-UHFFFAOYSA-N
XLogP3.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide (CID 7243507) is N-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)C1(c2cccs2)CCOCC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is BYCPRFBAATXMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(22)20-14-5-6-16(24-2)15(12-14)21-18(23)19(7-9-25-10-8-19)17-4-3-11-26-17/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).