N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide

C25H28N2O3S — CID 55919889

IUPACN-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(Cc1cccc(C(N)=O)c1)C(=O)c1oc2ccccc2c1CSC1CCCCC1
InChIInChI=1S/C25H28N2O3S/c1-27(15-17-8-7-9-18(14-17)24(26)28)25(29)23-21(16-31-19-10-3-2-4-11-19)20-12-5-6-13-22(20)30-23/h5-9,12-14,19H,2-4,10-11,15-16H2,1H3,(H2,26,28)
InChIKeyGVDOFUXVXKWQJP-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.37
Rot. Bonds7

About N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide

N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 55919889) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide
PubChem CID55919889
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(Cc1cccc(C(N)=O)c1)C(=O)c1oc2ccccc2c1CSC1CCCCC1
InChIInChI=1S/C25H28N2O3S/c1-27(15-17-8-7-9-18(14-17)24(26)28)25(29)23-21(16-31-19-10-3-2-4-11-19)20-12-5-6-13-22(20)30-23/h5-9,12-14,19H,2-4,10-11,15-16H2,1H3,(H2,26,28)
InChIKeyGVDOFUXVXKWQJP-UHFFFAOYSA-N
XLogP5.37
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-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-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
CID 2478636
3-(cyclohexylsulfanylmethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 26904913
3-(cyclohexylsulfanylmethyl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 7945777
3-(cyclohexylsulfanylmethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide
CID 17476804
3-(cyclohexylsulfanylmethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 27647896
3-(cyclohexylsulfanylmethyl)-N-[2-(furan-2-carbonylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55549464
3-(cyclohexylsulfanylmethyl)-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 4255361
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate
CID 2479592
3-(cyclohexylsulfanylmethyl)-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3962971
3-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 55335238
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate
CID 42972260
3-(cyclohexylsulfanylmethyl)-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120599514

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide (CID 55919889) is N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide is CN(Cc1cccc(C(N)=O)c1)C(=O)c1oc2ccccc2c1CSC1CCCCC1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GVDOFUXVXKWQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-27(15-17-8-7-9-18(14-17)24(26)28)25(29)23-21(16-31-19-10-3-2-4-11-19)20-12-5-6-13-22(20)30-23/h5-9,12-14,19H,2-4,10-11,15-16H2,1H3,(H2,26,28).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide?
N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55919889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).