N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C21H17N3O3S — CID 46492094

IUPACN-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESN#CCOc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c22-11-12-27-18-9-7-17(8-10-18)24-20(25)16-5-3-15(4-6-16)14-23-21(26)19-2-1-13-28-19/h1-10,13H,12,14H2,(H,23,26)(H,24,25)
InChIKeyZCLCOFQDMGRHOQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.83
Rot. Bonds7

About N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 46492094) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID46492094
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESN#CCOc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c22-11-12-27-18-9-7-17(8-10-18)24-20(25)16-5-3-15(4-6-16)14-23-21(26)19-2-1-13-28-19/h1-10,13H,12,14H2,(H,23,26)(H,24,25)
InChIKeyZCLCOFQDMGRHOQ-UHFFFAOYSA-N
XLogP3.83
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[3-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55800453
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55752421
N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 55372952
4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35706356
N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide
CID 574246
N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24682821
N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46484966
4-[4-[(thiophene-2-carbonylamino)methyl]phenoxy]butanoic acid
CID 119247435
N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
CID 19645321

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 46492094) is N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is N#CCOc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is ZCLCOFQDMGRHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c22-11-12-27-18-9-7-17(8-10-18)24-20(25)16-5-3-15(4-6-16)14-23-21(26)19-2-1-13-28-19/h1-10,13H,12,14H2,(H,23,26)(H,24,25).
What are the key properties of N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46492094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).