5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide

C19H17N3O2S — CID 45175739

IUPAC5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC2Cc3cccc(-c4cncnc4)c3O2)s1
InChIInChI=1S/C19H17N3O2S/c1-12-5-6-17(25-12)19(23)22-10-15-7-13-3-2-4-16(18(13)24-15)14-8-20-11-21-9-14/h2-6,8-9,11,15H,7,10H2,1H3,(H,22,23)
InChIKeySTJOVPORAFEYNO-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.25
Rot. Bonds4

About 5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide

5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 45175739) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide
PubChem CID45175739
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC2Cc3cccc(-c4cncnc4)c3O2)s1
InChIInChI=1S/C19H17N3O2S/c1-12-5-6-17(25-12)19(23)22-10-15-7-13-3-2-4-16(18(13)24-15)14-8-20-11-21-9-14/h2-6,8-9,11,15H,7,10H2,1H3,(H,22,23)
InChIKeySTJOVPORAFEYNO-UHFFFAOYSA-N
XLogP3.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide (CID 45175739) is 5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC2Cc3cccc(-c4cncnc4)c3O2)s1.
What is the InChIKey of 5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is STJOVPORAFEYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12-5-6-17(25-12)19(23)22-10-15-7-13-3-2-4-16(18(13)24-15)14-8-20-11-21-9-14/h2-6,8-9,11,15H,7,10H2,1H3,(H,22,23).
What are the key properties of 5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide?
5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 45175739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).