N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C16H14ClN3O2S — CID 2860454

IUPACN-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C16H14ClN3O2S/c1-9-13(15(21)19-11-6-4-10(17)5-7-11)14(20-16(22)18-9)12-3-2-8-23-12/h2-8,14H,1H3,(H,19,21)(H2,18,20,22)
InChIKeyLHNQRNWTPRIZQB-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.67
Rot. Bonds3

About N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2860454) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2860454
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C16H14ClN3O2S/c1-9-13(15(21)19-11-6-4-10(17)5-7-11)14(20-16(22)18-9)12-3-2-8-23-12/h2-8,14H,1H3,(H,19,21)(H2,18,20,22)
InChIKeyLHNQRNWTPRIZQB-UHFFFAOYSA-N
XLogP3.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2860454) is N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cccs2)NC(=O)N1.
What is the InChIKey of N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is LHNQRNWTPRIZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-9-13(15(21)19-11-6-4-10(17)5-7-11)14(20-16(22)18-9)12-3-2-8-23-12/h2-8,14H,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2860454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).