N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide

C19H19N3O2S — CID 71887562

IUPACN-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)Nc1cccc(Cn2cccnc2=O)c1
InChIInChI=1S/C19H19N3O2S/c1-13(2)16-7-10-25-17(16)18(23)21-15-6-3-5-14(11-15)12-22-9-4-8-20-19(22)24/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyXYFMFZBCIONRDI-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.73
Rot. Bonds5

About N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide

N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide (PubChem CID 71887562) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide
PubChem CID71887562
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)Nc1cccc(Cn2cccnc2=O)c1
InChIInChI=1S/C19H19N3O2S/c1-13(2)16-7-10-25-17(16)18(23)21-15-6-3-5-14(11-15)12-22-9-4-8-20-19(22)24/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyXYFMFZBCIONRDI-UHFFFAOYSA-N
XLogP3.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide
CID 16787006
(3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 94153158
1-(2-benzylsulfonylethyl)-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 47050413
tert-butyl (2S)-3-methyl-2-[[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]carbamoylamino]butanoate
CID 71919178
methyl (2S,3S)-2-methyl-3-[[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]carbamoylamino]-3-phenylpropanoate
CID 96533755
1-methyl-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 47050348
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 167757482
5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide
CID 78901705
4-fluoro-3-(methoxymethyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 55858441
1-methyl-6-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 47059179
(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 119855817
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 51118978

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide (CID 71887562) is N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide is CC(C)c1ccsc1C(=O)Nc1cccc(Cn2cccnc2=O)c1.
What is the InChIKey of N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide?
The InChIKey is XYFMFZBCIONRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13(2)16-7-10-25-17(16)18(23)21-15-6-3-5-14(11-15)12-22-9-4-8-20-19(22)24/h3-11,13H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide?
N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 71887562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).