N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide

C25H24N2O3S — CID 138969345

IUPACN-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2=C(c3ccoc3)[C@@H](c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C25H24N2O3S/c1-17-7-9-19(10-8-17)31(28,29)27(2)24-12-11-21(25(24)18-13-14-30-16-18)22-15-26-23-6-4-3-5-20(22)23/h3-10,13-16,21,26H,11-12H2,1-2H3/t21-/m1/s1
InChIKeyXCXJZFBNRSCXNT-OAQYLSRUSA-N
MW432.55 g/mol
LogP5.68
Rot. Bonds5

About N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide

N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide (PubChem CID 138969345) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide
PubChem CID138969345
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2=C(c3ccoc3)[C@@H](c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C25H24N2O3S/c1-17-7-9-19(10-8-17)31(28,29)27(2)24-12-11-21(25(24)18-13-14-30-16-18)22-15-26-23-6-4-3-5-20(22)23/h3-10,13-16,21,26H,11-12H2,1-2H3/t21-/m1/s1
InChIKeyXCXJZFBNRSCXNT-OAQYLSRUSA-N
XLogP5.68
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide with MolForge

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Related Compounds

N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide
CID 138969349
1H-indol-3-yl 4-methylbenzenesulfonate
CID 15090504
3-[2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1,3-dihydropyrazol-3-yl]-1H-indole
CID 54127089
N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide
CID 11428257
3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
CID 110711055
N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 67282472
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-[6-[1-(4-methylphenyl)sulfonylethyl]-3-tricyclo[4.1.0.01,3]heptanyl]-1H-indole
CID 167172156
4-[5-(furan-3-yl)-1H-indol-3-yl]-2,2-dimethylthiane 1,1-dioxide
CID 141221061
(1S)-1-(1H-indol-3-yl)-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 134294091
3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 10471087

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide (CID 138969345) is N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2=C(c3ccoc3)[C@@H](c3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is XCXJZFBNRSCXNT-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-17-7-9-19(10-8-17)31(28,29)27(2)24-12-11-21(25(24)18-13-14-30-16-18)22-15-26-23-6-4-3-5-20(22)23/h3-10,13-16,21,26H,11-12H2,1-2H3/t21-/m1/s1.
What are the key properties of N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide?
N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 432.55 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-(furan-3-yl)-3-(1H-indol-3-yl)cyclopenten-1-yl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 138969345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).