(3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide

C23H27N3O3S2 — CID 125124170

IUPAC(3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide
SMILESO=C(C[C@H](c1cccc2ccccc12)n1cccc1)NCCS(=O)(=O)N1CCSCC1
InChIInChI=1S/C23H27N3O3S2/c27-23(24-10-17-31(28,29)26-13-15-30-16-14-26)18-22(25-11-3-4-12-25)21-9-5-7-19-6-1-2-8-20(19)21/h1-9,11-12,22H,10,13-18H2,(H,24,27)/t22-/m1/s1
InChIKeyWWNIULNCSKDKAS-JOCHJYFZSA-N
MW457.62 g/mol
LogP3.12
Rot. Bonds8

About (3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide

(3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide (PubChem CID 125124170) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is (3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide.

Molecular Properties

Compound Name(3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide
PubChem CID125124170
Molecular FormulaC23H27N3O3S2
Molecular Weight457.62 g/mol
Exact Mass457.15
IUPAC Name(3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide
SMILESO=C(C[C@H](c1cccc2ccccc12)n1cccc1)NCCS(=O)(=O)N1CCSCC1
InChIInChI=1S/C23H27N3O3S2/c27-23(24-10-17-31(28,29)26-13-15-30-16-14-26)18-22(25-11-3-4-12-25)21-9-5-7-19-6-1-2-8-20(19)21/h1-9,11-12,22H,10,13-18H2,(H,24,27)/t22-/m1/s1
InChIKeyWWNIULNCSKDKAS-JOCHJYFZSA-N
XLogP3.12
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate
CID 125124293
3-(2-aminophenyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride
CID 120610539
(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
CID 125124269
N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782887
(3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 125123997
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide
CID 129342245
(3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
CID 125123868
3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 46342926
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-naphthalen-1-ylacetamide
CID 41349801
2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881299
(3S)-3-naphthalen-1-yl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3-pyrrol-1-ylpropanamide
CID 125123917
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023

Frequently Asked Questions

What is the IUPAC name of (3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide?
The IUPAC name of (3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide (CID 125124170) is (3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide.
What is the SMILES notation for (3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide?
The canonical SMILES for (3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide is O=C(C[C@H](c1cccc2ccccc12)n1cccc1)NCCS(=O)(=O)N1CCSCC1.
What is the InChIKey of (3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide?
The InChIKey is WWNIULNCSKDKAS-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c27-23(24-10-17-31(28,29)26-13-15-30-16-14-26)18-22(25-11-3-4-12-25)21-9-5-7-19-6-1-2-8-20(19)21/h1-9,11-12,22H,10,13-18H2,(H,24,27)/t22-/m1/s1.
What are the key properties of (3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide?
(3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide has a molecular weight of 457.62 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide is sourced from PubChem (CID 125124170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).