N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

C23H20ClNO2S — CID 35344621

IUPACN-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)N(Cc3cccs3)c3cccc(Cl)c3)oc2c1
InChIInChI=1S/C23H20ClNO2S/c1-14-10-15(2)21-16(3)22(27-20(21)11-14)23(26)25(13-19-8-5-9-28-19)18-7-4-6-17(24)12-18/h4-12H,13H2,1-3H3
InChIKeyKSBRLLYWCWIRBF-UHFFFAOYSA-N
MW409.94 g/mol
LogP6.92
Rot. Bonds4

About N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 35344621) has the molecular formula C23H20ClNO2S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID35344621
Molecular FormulaC23H20ClNO2S
Molecular Weight409.94 g/mol
Exact Mass409.09
IUPAC NameN-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)N(Cc3cccs3)c3cccc(Cl)c3)oc2c1
InChIInChI=1S/C23H20ClNO2S/c1-14-10-15(2)21-16(3)22(27-20(21)11-14)23(26)25(13-19-8-5-9-28-19)18-7-4-6-17(24)12-18/h4-12H,13H2,1-3H3
InChIKeyKSBRLLYWCWIRBF-UHFFFAOYSA-N
XLogP6.92
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.94
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 35344672
3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17014005
N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
CID 17013155
2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid
CID 60825769
3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 35572978
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 35180101
N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 35573519
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide
CID 17012280
N-(chloromethyl)-N-(3-chlorophenyl)carbamoyl chloride
CID 21314741
3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea
CID 17013664
2-amino-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39360719

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 35344621) is N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1cc(C)c2c(C)c(C(=O)N(Cc3cccs3)c3cccc(Cl)c3)oc2c1.
What is the InChIKey of N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is KSBRLLYWCWIRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO2S/c1-14-10-15(2)21-16(3)22(27-20(21)11-14)23(26)25(13-19-8-5-9-28-19)18-7-4-6-17(24)12-18/h4-12H,13H2,1-3H3.
What are the key properties of N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 409.94 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35344621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).