(2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

C18H26N2O4S2 — CID 7395631

IUPAC(2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESC[C@H](SC1CCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H26N2O4S2/c1-14(25-16-6-2-3-7-16)18(21)19-15-5-4-8-17(13-15)26(22,23)20-9-11-24-12-10-20/h4-5,8,13-14,16H,2-3,6-7,9-12H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyFWDNIZUDMQYSKY-AWEZNQCLSA-N
MW398.55 g/mol
LogP2.71
Rot. Bonds6

About (2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

(2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 7395631) has the molecular formula C18H26N2O4S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is (2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID7395631
Molecular FormulaC18H26N2O4S2
Molecular Weight398.55 g/mol
Exact Mass398.13
IUPAC Name(2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESC[C@H](SC1CCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H26N2O4S2/c1-14(25-16-6-2-3-7-16)18(21)19-15-5-4-8-17(13-15)26(22,23)20-9-11-24-12-10-20/h4-5,8,13-14,16H,2-3,6-7,9-12H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyFWDNIZUDMQYSKY-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

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Related Compounds

(2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7398211
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
(2S)-2-cyclopentylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7825678
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 8813064
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 3411491
(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 40786655
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 40786654
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 55640216
(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 25437860
[(1R,2R,3S)-2,3-dimethylcyclohexyl]-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]azanium
CID 11939442
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)pentanamide
CID 119262364
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 43029497

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of (2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (CID 7395631) is (2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is C[C@H](SC1CCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is FWDNIZUDMQYSKY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O4S2/c1-14(25-16-6-2-3-7-16)18(21)19-15-5-4-8-17(13-15)26(22,23)20-9-11-24-12-10-20/h4-5,8,13-14,16H,2-3,6-7,9-12H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
(2S)-2-cyclopentylsulfanyl-N-(3-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-(3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 7395631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).