4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide

C27H27N3O4S2 — CID 2156516

IUPAC4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
SMILESO=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H27N3O4S2/c31-27(21-10-12-22(13-11-21)36(32,33)30-15-17-34-18-16-30)28-14-19-35-26-23-8-4-5-9-24(23)29-25(26)20-6-2-1-3-7-20/h1-13,29H,14-19H2,(H,28,31)
InChIKeyAFKWOUUBJZYNNI-UHFFFAOYSA-N
MW521.66 g/mol
LogP4.38
Rot. Bonds8

About 4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide

4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide (PubChem CID 2156516) has the molecular formula C27H27N3O4S2 and a molecular weight of 521.66 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
PubChem CID2156516
Molecular FormulaC27H27N3O4S2
Molecular Weight521.66 g/mol
Exact Mass521.14
IUPAC Name4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
SMILESO=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C27H27N3O4S2/c31-27(21-10-12-22(13-11-21)36(32,33)30-15-17-34-18-16-30)28-14-19-35-26-23-8-4-5-9-24(23)29-25(26)20-6-2-1-3-7-20/h1-13,29H,14-19H2,(H,28,31)
InChIKeyAFKWOUUBJZYNNI-UHFFFAOYSA-N
XLogP4.38
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.66
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide 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

4-phenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156509
N-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 1272760
2-iodo-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 4139803
4-morpholin-4-ylsulfonyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569629
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
4-morpholin-4-ylsulfonyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90498022
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
3-methoxy-N-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 3249034
N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-methylbenzamide
CID 4107374

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide (CID 2156516) is 4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide is O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide?
The InChIKey is AFKWOUUBJZYNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S2/c31-27(21-10-12-22(13-11-21)36(32,33)30-15-17-34-18-16-30)28-14-19-35-26-23-8-4-5-9-24(23)29-25(26)20-6-2-1-3-7-20/h1-13,29H,14-19H2,(H,28,31).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide has a molecular weight of 521.66 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide is sourced from PubChem (CID 2156516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).