N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide

C66H60N4O4S2 — CID 139049976

IUPACN-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)C2=C(c3ccccc3)CC[C@@H]2c2c[nH]c3ccccc23)cc1.Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2=C(c3ccccc3)CC[C@H]2c2c[nH]c3ccccc23)cc1
InChIInChI=1S/2C33H30N2O2S/c2*1-24-16-18-27(19-17-24)38(36,37)35(23-25-10-4-2-5-11-25)33-28(26-12-6-3-7-13-26)20-21-30(33)31-22-34-32-15-9-8-14-29(31)32/h2*2-19,22,30,34H,20-21,23H2,1H3/t2*30-/m10/s1
InChIKeyXMPXBABVRLYKIF-JRSORBERSA-N
MW1037.36 g/mol
LogP15.31
Rot. Bonds14

About N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide

N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide (PubChem CID 139049976) has the molecular formula C66H60N4O4S2 and a molecular weight of 1037.36 g/mol. Its IUPAC name is N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide
PubChem CID139049976
Molecular FormulaC66H60N4O4S2
Molecular Weight1037.36 g/mol
Exact Mass1036.41
IUPAC NameN-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)C2=C(c3ccccc3)CC[C@@H]2c2c[nH]c3ccccc23)cc1.Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2=C(c3ccccc3)CC[C@H]2c2c[nH]c3ccccc23)cc1
InChIInChI=1S/2C33H30N2O2S/c2*1-24-16-18-27(19-17-24)38(36,37)35(23-25-10-4-2-5-11-25)33-28(26-12-6-3-7-13-26)20-21-30(33)31-22-34-32-15-9-8-14-29(31)32/h2*2-19,22,30,34H,20-21,23H2,1H3/t2*30-/m10/s1
InChIKeyXMPXBABVRLYKIF-JRSORBERSA-N
XLogP15.31
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.36
LogP ≤ 515.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
pyrrolidinylindole, (R)-5b
CID 11351089
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methylphenyl)benzene-1-sulfonamide
CID 24825381
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzene-1-sulfonamide
CID 24825382
4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825383
N-[2-(1H-indol-3-yl)ethyl]-4-[4-(propan-2-yl)phenyl]benzene-1-sulfonamide
CID 24825384
4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825385

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide (CID 139049976) is N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2=C(c3ccccc3)CC[C@@H]2c2c[nH]c3ccccc23)cc1.Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2=C(c3ccccc3)CC[C@H]2c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide?
The InChIKey is XMPXBABVRLYKIF-JRSORBERSA-N. The full InChI is InChI=1S/2C33H30N2O2S/c2*1-24-16-18-27(19-17-24)38(36,37)35(23-25-10-4-2-5-11-25)33-28(26-12-6-3-7-13-26)20-21-30(33)31-22-34-32-15-9-8-14-29(31)32/h2*2-19,22,30,34H,20-21,23H2,1H3/t2*30-/m10/s1.
What are the key properties of N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide?
N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide has a molecular weight of 1037.36 g/mol, XLogP of 15.31, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5S)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide;N-benzyl-N-[(5R)-5-(1H-indol-3-yl)-2-phenylcyclopenten-1-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 139049976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).