(2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

C18H26N2O4S2 — CID 7398211

IUPAC(2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESC[C@H](SC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O4S2/c1-14(25-16-4-2-3-5-16)18(21)19-15-6-8-17(9-7-15)26(22,23)20-10-12-24-13-11-20/h6-9,14,16H,2-5,10-13H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyQJFMRQCEEWVJNR-AWEZNQCLSA-N
MW398.55 g/mol
LogP2.71
Rot. Bonds6

About (2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

(2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 7398211) has the molecular formula C18H26N2O4S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is (2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID7398211
Molecular FormulaC18H26N2O4S2
Molecular Weight398.55 g/mol
Exact Mass398.13
IUPAC Name(2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESC[C@H](SC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O4S2/c1-14(25-16-4-2-3-5-16)18(21)19-15-6-8-17(9-7-15)26(22,23)20-10-12-24-13-11-20/h6-9,14,16H,2-5,10-13H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyQJFMRQCEEWVJNR-AWEZNQCLSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide 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

(2S)-2-cyclopentylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7825678
(2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 7395631
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate
CID 8766278
(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide
CID 7395629
(2S)-N-(4-morpholin-4-ylsulfonylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 41077135
(2R)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 25363501
(2R)-N-cyclopentyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332126
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 6599964
(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide
CID 7825638
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide
CID 2412835
N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
CID 31962865

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of (2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 7398211) is (2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is C[C@H](SC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is QJFMRQCEEWVJNR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O4S2/c1-14(25-16-4-2-3-5-16)18(21)19-15-6-8-17(9-7-15)26(22,23)20-10-12-24-13-11-20/h6-9,14,16H,2-5,10-13H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
(2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 398.55 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 7398211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).