N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide

C20H17ClN2O4S — CID 3161506

IUPACN-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1cccs1
InChIInChI=1S/C20H17ClN2O4S/c1-26-17-11-13(8-9-15(17)23-20(25)18-7-4-10-28-18)22-19(24)12-27-16-6-3-2-5-14(16)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeySDEQWBAQRCQWPJ-UHFFFAOYSA-N
MW416.89 g/mol
LogP4.68
Rot. Bonds7

About N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide

N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 3161506) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID3161506
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC NameN-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1cccs1
InChIInChI=1S/C20H17ClN2O4S/c1-26-17-11-13(8-9-15(17)23-20(25)18-7-4-10-28-18)22-19(24)12-27-16-6-3-2-5-14(16)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeySDEQWBAQRCQWPJ-UHFFFAOYSA-N
XLogP4.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide (CID 3161506) is N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide is COc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is SDEQWBAQRCQWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c1-26-17-11-13(8-9-15(17)23-20(25)18-7-4-10-28-18)22-19(24)12-27-16-6-3-2-5-14(16)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide?
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 416.89 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3161506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).