N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

C21H20N2O4S — CID 33102267

IUPACN-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cccc(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C21H20N2O4S/c1-26-17-8-9-18(27-2)15(12-17)13-22-20(24)14-5-3-6-16(11-14)23-21(25)19-7-4-10-28-19/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXXIAYLVFLKZFRH-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.95
Rot. Bonds7

About N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 33102267) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID33102267
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cccc(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C21H20N2O4S/c1-26-17-8-9-18(27-2)15(12-17)13-22-20(24)14-5-3-6-16(11-14)23-21(25)19-7-4-10-28-19/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXXIAYLVFLKZFRH-UHFFFAOYSA-N
XLogP3.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 78839112
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129
(2-methoxy-5-methylphenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 7644966
N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 35091110
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide
CID 110793473
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 18113327
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
2-(4-methoxyphenyl)ethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492077
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55548169

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 33102267) is N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is COc1ccc(OC)c(CNC(=O)c2cccc(NC(=O)c3cccs3)c2)c1.
What is the InChIKey of N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is XXIAYLVFLKZFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-26-17-8-9-18(27-2)15(12-17)13-22-20(24)14-5-3-6-16(11-14)23-21(25)19-7-4-10-28-19/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 33102267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).