N-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

C17H15ClN4OS — CID 11566640

IUPACN-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCc3cccc(Cl)c3)s2)n1
InChIInChI=1S/C17H15ClN4OS/c1-19-17-20-8-7-13(22-17)14-5-6-15(24-14)16(23)21-10-11-3-2-4-12(18)9-11/h2-9H,10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyOALQAWMGVSFZGX-UHFFFAOYSA-N
MW358.85 g/mol
LogP3.83
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

N-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 11566640) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
PubChem CID11566640
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC NameN-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCc3cccc(Cl)c3)s2)n1
InChIInChI=1S/C17H15ClN4OS/c1-19-17-20-8-7-13(22-17)14-5-6-15(24-14)16(23)21-10-11-3-2-4-12(18)9-11/h2-9H,10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyOALQAWMGVSFZGX-UHFFFAOYSA-N
XLogP3.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (CID 11566640) is N-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is CNc1nccc(-c2ccc(C(=O)NCc3cccc(Cl)c3)s2)n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The InChIKey is OALQAWMGVSFZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-19-17-20-8-7-13(22-17)14-5-6-15(24-14)16(23)21-10-11-3-2-4-12(18)9-11/h2-9H,10H2,1H3,(H,21,23)(H,19,20,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
N-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 11566640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).