N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide

C28H24F2N2O3S — CID 10118150

IUPACN-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide
SMILESCOc1ccc(CC(=O)NCc2ccccc2-c2sccc2C(=O)NCc2ccc(F)cc2F)cc1
InChIInChI=1S/C28H24F2N2O3S/c1-35-22-10-6-18(7-11-22)14-26(33)31-16-19-4-2-3-5-23(19)27-24(12-13-36-27)28(34)32-17-20-8-9-21(29)15-25(20)30/h2-13,15H,14,16-17H2,1H3,(H,31,33)(H,32,34)
InChIKeyCAMJPQIDOCQHHK-UHFFFAOYSA-N
MW506.57 g/mol
LogP5.49
Rot. Bonds9

About N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide (PubChem CID 10118150) has the molecular formula C28H24F2N2O3S and a molecular weight of 506.57 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide
PubChem CID10118150
Molecular FormulaC28H24F2N2O3S
Molecular Weight506.57 g/mol
Exact Mass506.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide
SMILESCOc1ccc(CC(=O)NCc2ccccc2-c2sccc2C(=O)NCc2ccc(F)cc2F)cc1
InChIInChI=1S/C28H24F2N2O3S/c1-35-22-10-6-18(7-11-22)14-26(33)31-16-19-4-2-3-5-23(19)27-24(12-13-36-27)28(34)32-17-20-8-9-21(29)15-25(20)30/h2-13,15H,14,16-17H2,1H3,(H,31,33)(H,32,34)
InChIKeyCAMJPQIDOCQHHK-UHFFFAOYSA-N
XLogP5.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.57
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide (CID 10118150) is N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide is COc1ccc(CC(=O)NCc2ccccc2-c2sccc2C(=O)NCc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide?
The InChIKey is CAMJPQIDOCQHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N2O3S/c1-35-22-10-6-18(7-11-22)14-26(33)31-16-19-4-2-3-5-23(19)27-24(12-13-36-27)28(34)32-17-20-8-9-21(29)15-25(20)30/h2-13,15H,14,16-17H2,1H3,(H,31,33)(H,32,34).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide has a molecular weight of 506.57 g/mol, XLogP of 5.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 10118150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).