5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

C19H14ClNO3S — CID 31834551

IUPAC5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2cc(Cl)ccc2o1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C19H14ClNO3S/c20-14-5-6-17-13(9-14)10-18(24-17)19(22)21(11-15-3-1-7-23-15)12-16-4-2-8-25-16/h1-10H,11-12H2
InChIKeyDVKQNZUDQBLYQT-UHFFFAOYSA-N
MW371.85 g/mol
LogP5.58
Rot. Bonds5

About 5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 31834551) has the molecular formula C19H14ClNO3S and a molecular weight of 371.85 g/mol. Its IUPAC name is 5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID31834551
Molecular FormulaC19H14ClNO3S
Molecular Weight371.85 g/mol
Exact Mass371.04
IUPAC Name5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2cc(Cl)ccc2o1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C19H14ClNO3S/c20-14-5-6-17-13(9-14)10-18(24-17)19(22)21(11-15-3-1-7-23-15)12-16-4-2-8-25-16/h1-10H,11-12H2
InChIKeyDVKQNZUDQBLYQT-UHFFFAOYSA-N
XLogP5.58
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.85
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(furan-2-ylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 52784606
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
6-ethyl-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35181644
7-bromo-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35345694
N,N-bis(thiophen-2-ylmethyl)furan-2-carboxamide
CID 60682593
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869064
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 31836479
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 2566916

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 31834551) is 5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is O=C(c1cc2cc(Cl)ccc2o1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is DVKQNZUDQBLYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3S/c20-14-5-6-17-13(9-14)10-18(24-17)19(22)21(11-15-3-1-7-23-15)12-16-4-2-8-25-16/h1-10H,11-12H2.
What are the key properties of 5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 371.85 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 31834551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).