N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

C26H33N3O5S — CID 163449069

IUPACN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCc1cc2c(c(C(=O)NCCc3ccc(S(=O)(=O)NC(=O)NC4CCCCC4)cc3)c1)OC(C)C2
InChIInChI=1S/C26H33N3O5S/c1-17-14-20-16-18(2)34-24(20)23(15-17)25(30)27-13-12-19-8-10-22(11-9-19)35(32,33)29-26(31)28-21-6-4-3-5-7-21/h8-11,14-15,18,21H,3-7,12-13,16H2,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyBFAXBWHYFQXAOP-UHFFFAOYSA-N
MW499.63 g/mol
LogP3.61
Rot. Bonds7

About N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 163449069) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID163449069
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC NameN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCc1cc2c(c(C(=O)NCCc3ccc(S(=O)(=O)NC(=O)NC4CCCCC4)cc3)c1)OC(C)C2
InChIInChI=1S/C26H33N3O5S/c1-17-14-20-16-18(2)34-24(20)23(15-17)25(30)27-13-12-19-8-10-22(11-9-19)35(32,33)29-26(31)28-21-6-4-3-5-7-21/h8-11,14-15,18,21H,3-7,12-13,16H2,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyBFAXBWHYFQXAOP-UHFFFAOYSA-N
XLogP3.61
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-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

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide
CID 44567440
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 10346554
cerium;5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
CID 88767103
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-ethyl-2-oxoquinoline-3-carboxamide
CID 13124471
methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate
CID 59767886
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-[(4-fluorophenyl)methoxy]-5-iodobenzamide
CID 10372384
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate
CID 100950927
3-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-methyl-1-pyridin-2-ylurea
CID 21433328
5-chloro-N-[2-[4-[(4-hydroxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide
CID 3082214

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 163449069) is N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is Cc1cc2c(c(C(=O)NCCc3ccc(S(=O)(=O)NC(=O)NC4CCCCC4)cc3)c1)OC(C)C2.
What is the InChIKey of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is BFAXBWHYFQXAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-17-14-20-16-18(2)34-24(20)23(15-17)25(30)27-13-12-19-8-10-22(11-9-19)35(32,33)29-26(31)28-21-6-4-3-5-7-21/h8-11,14-15,18,21H,3-7,12-13,16H2,1-2H3,(H,27,30)(H2,28,29,31).
What are the key properties of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 499.63 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 163449069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).