5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide

C21H20N2O3S — CID 24575094

IUPAC5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(C)=O)s2)cc1Cc1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-14(24)22-20-11-10-19(27-20)21(25)23-17-8-9-18(26-2)16(13-17)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXIESREZDLWYYMS-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.56
Rot. Bonds6

About 5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide

5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 24575094) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID24575094
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(C)=O)s2)cc1Cc1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-14(24)22-20-11-10-19(27-20)21(25)23-17-8-9-18(26-2)16(13-17)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXIESREZDLWYYMS-UHFFFAOYSA-N
XLogP4.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 134045577
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CID 42372295
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
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3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide
CID 17443833
N-(3-benzyl-4-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18206628
N-[4-[(3-benzyl-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27038930
N-(3-benzyl-4-methoxyphenyl)pentanamide
CID 18128166
N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
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4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
CID 119274895
N-(3-benzyl-4-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 24571190
N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18228128
N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 24571213

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide (CID 24575094) is 5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2ccc(NC(C)=O)s2)cc1Cc1ccccc1.
What is the InChIKey of 5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is XIESREZDLWYYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-14(24)22-20-11-10-19(27-20)21(25)23-17-8-9-18(26-2)16(13-17)12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide?
5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(3-benzyl-4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 24575094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).