N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide

C18H15N3O2S2 — CID 47082031

IUPACN-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1oc2ccccc2c1CSc1cccs1
InChIInChI=1S/C18H15N3O2S2/c22-18(19-10-12-7-8-20-21-12)17-14(11-25-16-6-3-9-24-16)13-4-1-2-5-15(13)23-17/h1-9H,10-11H2,(H,19,22)(H,20,21)
InChIKeyUCKWGYFUZJHRAV-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.44
Rot. Bonds6

About N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide

N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 47082031) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
PubChem CID47082031
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1oc2ccccc2c1CSc1cccs1
InChIInChI=1S/C18H15N3O2S2/c22-18(19-10-12-7-8-20-21-12)17-14(11-25-16-6-3-9-24-16)13-4-1-2-5-15(13)23-17/h1-9H,10-11H2,(H,19,22)(H,20,21)
InChIKeyUCKWGYFUZJHRAV-UHFFFAOYSA-N
XLogP4.44
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide (CID 47082031) is N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide is O=C(NCc1ccn[nH]1)c1oc2ccccc2c1CSc1cccs1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is UCKWGYFUZJHRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c22-18(19-10-12-7-8-20-21-12)17-14(11-25-16-6-3-9-24-16)13-4-1-2-5-15(13)23-17/h1-9H,10-11H2,(H,19,22)(H,20,21).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide?
N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47082031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).