N-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide

C23H28N4O4S2 — CID 24527384

IUPACN-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1
InChIInChI=1S/C23H28N4O4S2/c1-33(29,30)24-14-13-17-9-11-18(12-10-17)20(28)16-32-23-26-25-22(21-8-5-15-31-21)27(23)19-6-3-2-4-7-19/h5,8-12,15,19,24H,2-4,6-7,13-14,16H2,1H3
InChIKeyGGPFDEPJFQILRP-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.11
Rot. Bonds10

About N-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide

N-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide (PubChem CID 24527384) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide
PubChem CID24527384
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC NameN-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1
InChIInChI=1S/C23H28N4O4S2/c1-33(29,30)24-14-13-17-9-11-18(12-10-17)20(28)16-32-23-26-25-22(21-8-5-15-31-21)27(23)19-6-3-2-4-7-19/h5,8-12,15,19,24H,2-4,6-7,13-14,16H2,1H3
InChIKeyGGPFDEPJFQILRP-UHFFFAOYSA-N
XLogP4.11
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 27354237
2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 51215768
2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 21373757
N-(2-cyanoethyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7817831
N-(3-acetylphenyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112777717
2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 7030479
2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7417082
2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7817817
2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 40843540
2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 46678042
N-(2-chlorophenyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7417100
2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 7818038

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide (CID 24527384) is N-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1.
What is the InChIKey of N-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide?
The InChIKey is GGPFDEPJFQILRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-33(29,30)24-14-13-17-9-11-18(12-10-17)20(28)16-32-23-26-25-22(21-8-5-15-31-21)27(23)19-6-3-2-4-7-19/h5,8-12,15,19,24H,2-4,6-7,13-14,16H2,1H3.
What are the key properties of N-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide?
N-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide has a molecular weight of 488.64 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 24527384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).