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

C21H20N2O5S — CID 6491093

IUPACN-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1
InChIInChI=1S/C21H20N2O5S/c1-26-15-6-8-16(9-7-15)28-13-20(24)22-14-5-10-17(18(12-14)27-2)23-21(25)19-4-3-11-29-19/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNIOSTTIVFVLFCN-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.04
Rot. Bonds8

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

N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 6491093) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID6491093
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC NameN-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1
InChIInChI=1S/C21H20N2O5S/c1-26-15-6-8-16(9-7-15)28-13-20(24)22-14-5-10-17(18(12-14)27-2)23-21(25)19-4-3-11-29-19/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNIOSTTIVFVLFCN-UHFFFAOYSA-N
XLogP4.04
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 6491093) is N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide is COc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1.
What is the InChIKey of N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is NIOSTTIVFVLFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-26-15-6-8-16(9-7-15)28-13-20(24)22-14-5-10-17(18(12-14)27-2)23-21(25)19-4-3-11-29-19/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 6491093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).