N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C17H17N3O2S — CID 134004262

IUPACN-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O2S/c1-12(19-16(21)15-4-3-9-23-15)17(22)20(2)11-14-7-5-13(10-18)6-8-14/h3-9,12H,11H2,1-2H3,(H,19,21)
InChIKeyRKWFAGKTDAFTDX-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.40
Rot. Bonds5

About N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 134004262) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID134004262
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O2S/c1-12(19-16(21)15-4-3-9-23-15)17(22)20(2)11-14-7-5-13(10-18)6-8-14/h3-9,12H,11H2,1-2H3,(H,19,21)
InChIKeyRKWFAGKTDAFTDX-UHFFFAOYSA-N
XLogP2.40
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-fluorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195706
N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 39859559
N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24662353
2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide
CID 134054757
1-[(4-cyanophenyl)methyl]-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 47172039
N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 99865873
N-[1-[(4-cyanophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 134054747
N-[1-[(2-hydroxycyclohexyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110003601
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
(2R)-3-[benzyl(methyl)amino]-2-[(4-cyanophenyl)methyl]-3-oxopropanoic acid
CID 23519941
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[(4-cyanophenyl)methyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide
CID 55586552

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 134004262) is N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)N(C)Cc1ccc(C#N)cc1.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is RKWFAGKTDAFTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12(19-16(21)15-4-3-9-23-15)17(22)20(2)11-14-7-5-13(10-18)6-8-14/h3-9,12H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 134004262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).