5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide

C18H23NO4S — CID 96565515

IUPAC5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide
SMILESCc1cc2cc(C(=O)N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)oc2cc1C
InChIInChI=1S/C18H23NO4S/c1-11-7-13-9-17(23-16(13)8-12(11)2)18(20)19-14-5-4-6-15(10-14)24(3,21)22/h7-9,14-15H,4-6,10H2,1-3H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyBZGUSVFQGOBDHA-LSDHHAIUSA-N
MW349.45 g/mol
LogP3.14
Rot. Bonds3

About 5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide

5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide (PubChem CID 96565515) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide
PubChem CID96565515
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide
SMILESCc1cc2cc(C(=O)N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)oc2cc1C
InChIInChI=1S/C18H23NO4S/c1-11-7-13-9-17(23-16(13)8-12(11)2)18(20)19-14-5-4-6-15(10-14)24(3,21)22/h7-9,14-15H,4-6,10H2,1-3H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyBZGUSVFQGOBDHA-LSDHHAIUSA-N
XLogP3.14
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-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

5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 120601646
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029
N-cyclohexyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65374556
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
2,5-difluoro-4-methyl-N-(3-methylsulfonylcyclohexyl)aniline
CID 103585711
methyl 5,6-dimethyl-1-benzofuran-2-carboxylate
CID 23271204
2,5-dichloro-4-methyl-N-(3-methylsulfonylcyclohexyl)aniline
CID 104726787
[2-(aminomethyl)pyrrolidin-1-yl]-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119631264
cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 97318321
2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate
CID 83211078
N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide
CID 111470191

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide (CID 96565515) is 5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide is Cc1cc2cc(C(=O)N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)oc2cc1C.
What is the InChIKey of 5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide?
The InChIKey is BZGUSVFQGOBDHA-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-11-7-13-9-17(23-16(13)8-12(11)2)18(20)19-14-5-4-6-15(10-14)24(3,21)22/h7-9,14-15H,4-6,10H2,1-3H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of 5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide?
5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(1S,3R)-3-methylsulfonylcyclohexyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 96565515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).