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

C21H17N3O3S — CID 35706356

IUPACN-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C21H17N3O3S/c1-24(21(26)19-7-4-14-28-19)18-6-3-2-5-17(18)20(25)23-15-8-10-16(11-9-15)27-13-12-22/h2-11,14H,13H2,1H3,(H,23,25)
InChIKeyIFXIUOHCKNXMPT-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.18
Rot. Bonds6

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

N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide (PubChem CID 35706356) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
PubChem CID35706356
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C21H17N3O3S/c1-24(21(26)19-7-4-14-28-19)18-6-3-2-5-17(18)20(25)23-15-8-10-16(11-9-15)27-13-12-22/h2-11,14H,13H2,1H3,(H,23,25)
InChIKeyIFXIUOHCKNXMPT-UHFFFAOYSA-N
XLogP4.18
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46492094
N-methyl-N-[2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24684885
N-methyl-N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24684787
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide
CID 86898714
2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide
CID 103751975
N-[2-[2-(2-cyano-3-fluoroanilino)ethylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 55753887
N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55748660
N-[2-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35743676
N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35707422
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024
N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 38769819
N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35700243

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide (CID 35706356) is N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide is CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(OCC#N)cc1.
What is the InChIKey of N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The InChIKey is IFXIUOHCKNXMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-24(21(26)19-7-4-14-28-19)18-6-3-2-5-17(18)20(25)23-15-8-10-16(11-9-15)27-13-12-22/h2-11,14H,13H2,1H3,(H,23,25).
What are the key properties of N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 35706356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).