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

C20H18N2O3S — CID 31518535

IUPACN-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C20H18N2O3S/c1-25-17-9-7-14(8-10-17)12-19(23)21-15-4-2-5-16(13-15)22-20(24)18-6-3-11-26-18/h2-11,13H,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyDJMMKIDOBUNVGE-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.19
Rot. Bonds6

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

N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 31518535) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID31518535
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C20H18N2O3S/c1-25-17-9-7-14(8-10-17)12-19(23)21-15-4-2-5-16(13-15)22-20(24)18-6-3-11-26-18/h2-11,13H,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyDJMMKIDOBUNVGE-UHFFFAOYSA-N
XLogP4.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 78839112
N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 29335398
2-(4-methoxyphenyl)ethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492077
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9299373
N-[4-[N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4575514
N-[3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 46568166
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 119701086
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161370
N-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31520800

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 31518535) is N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide is COc1ccc(CC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1.
What is the InChIKey of N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is DJMMKIDOBUNVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-25-17-9-7-14(8-10-17)12-19(23)21-15-4-2-5-16(13-15)22-20(24)18-6-3-11-26-18/h2-11,13H,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31518535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).