N-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide

C20H18N2O4S — CID 1077053

IUPACN-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C20H18N2O4S/c1-25-16-8-10-17(11-9-16)26-13-19(23)21-14-4-6-15(7-5-14)22-20(24)18-3-2-12-27-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyGKOARNXILQBNEG-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.03
Rot. Bonds7

About N-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide

N-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 1077053) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID1077053
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C20H18N2O4S/c1-25-16-8-10-17(11-9-16)26-13-19(23)21-14-4-6-15(7-5-14)22-20(24)18-3-2-12-27-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyGKOARNXILQBNEG-UHFFFAOYSA-N
XLogP4.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 1077053) is N-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide is COc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is GKOARNXILQBNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-25-16-8-10-17(11-9-16)26-13-19(23)21-14-4-6-15(7-5-14)22-20(24)18-3-2-12-27-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1077053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).