N,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide

C21H17NO3S — CID 127029495

IUPACN,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1
InChIInChI=1S/C21H17NO3S/c1-22(2)20(23)14-5-3-13(4-6-14)18-9-10-19(26-18)15-7-8-17-16(11-15)12-25-21(17)24/h3-11H,12H2,1-2H3
InChIKeyYBTXGZLJYLRPEA-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.45
Rot. Bonds3

About N,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide

N,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (PubChem CID 127029495) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
PubChem CID127029495
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC NameN,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1
InChIInChI=1S/C21H17NO3S/c1-22(2)20(23)14-5-3-13(4-6-14)18-9-10-19(26-18)15-7-8-17-16(11-15)12-25-21(17)24/h3-11H,12H2,1-2H3
InChIKeyYBTXGZLJYLRPEA-UHFFFAOYSA-N
XLogP4.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127029491
(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidin-2-one
CID 53261774
Methyl 4-[[(3-phenylthiophene-2-carbonyl)amino]methyl]benzoate
CID 24684587
1,3-dimethyl-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 57392684
4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzonitrile
CID 127029222
3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127029490
(3Z)-1-[(4-methoxyphenyl)methyl]-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidin-2-one
CID 57397969
(3Z)-1-benzyl-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidin-2-one
CID 57396148
(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]piperidin-2-one
CID 57399613
2-{[5-(Tetrahydro-2-furanyl)-2-thienyl]carbonyl}isoindoline
CID 72925180
5-(5-phenylthiophen-2-yl)-3H-2-benzofuran-1-one
CID 127025432
5-[5-(2-methylphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one
CID 127025433

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (CID 127029495) is N,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is CN(C)C(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1.
What is the InChIKey of N,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The InChIKey is YBTXGZLJYLRPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c1-22(2)20(23)14-5-3-13(4-6-14)18-9-10-19(26-18)15-7-8-17-16(11-15)12-25-21(17)24/h3-11H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
N,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide has a molecular weight of 363.44 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 127029495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).