(2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide

C25H27N3O4S2 — CID 40919685

IUPAC(2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
SMILESC[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O4S2/c1-19(25(29)27-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21)33-23-13-12-22(18-26-23)34(30,31)28-14-16-32-17-15-28/h2-13,18-19,24H,14-17H2,1H3,(H,27,29)/t19-/m1/s1
InChIKeyYIOYRIXWABSRQI-LJQANCHMSA-N
MW497.64 g/mol
LogP3.49
Rot. Bonds8

About (2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide

(2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 40919685) has the molecular formula C25H27N3O4S2 and a molecular weight of 497.64 g/mol. Its IUPAC name is (2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID40919685
Molecular FormulaC25H27N3O4S2
Molecular Weight497.64 g/mol
Exact Mass497.14
IUPAC Name(2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
SMILESC[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O4S2/c1-19(25(29)27-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21)33-23-13-12-22(18-26-23)34(30,31)28-14-16-32-17-15-28/h2-13,18-19,24H,14-17H2,1H3,(H,27,29)/t19-/m1/s1
InChIKeyYIOYRIXWABSRQI-LJQANCHMSA-N
XLogP3.49
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 41361926
N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46617051
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7774852
(2S)-N-propan-2-yl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 39965753
(2R)-N-(3,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
CID 40968697
N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46629867
ethyl (2S)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanoate
CID 52511353
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 25408598
(2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 38974194
(2S)-1-(1H-indol-3-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 41103443
4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
CID 7774902
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 7774854

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide (CID 40919685) is (2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide is C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is YIOYRIXWABSRQI-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27N3O4S2/c1-19(25(29)27-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21)33-23-13-12-22(18-26-23)34(30,31)28-14-16-32-17-15-28/h2-13,18-19,24H,14-17H2,1H3,(H,27,29)/t19-/m1/s1.
What are the key properties of (2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
(2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 497.64 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 40919685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).