3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide

C23H23N3O5S2 — CID 164708198

IUPAC3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCO1
InChIInChI=1S/C23H23N3O5S2/c24-23(28)22-21(17-4-1-2-5-19(17)32-22)18-14-25(12-13-31-18)33(29,30)16-9-7-15(8-10-16)26-11-3-6-20(26)27/h1-2,4-5,7-10,18H,3,6,11-14H2,(H2,24,28)/t18-/m0/s1
InChIKeyFJHWCBPZYSMIKB-SFHVURJKSA-N
MW485.59 g/mol
LogP2.89
Rot. Bonds5

About 3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide

3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 164708198) has the molecular formula C23H23N3O5S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID164708198
Molecular FormulaC23H23N3O5S2
Molecular Weight485.59 g/mol
Exact Mass485.11
IUPAC Name3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCO1
InChIInChI=1S/C23H23N3O5S2/c24-23(28)22-21(17-4-1-2-5-19(17)32-22)18-14-25(12-13-31-18)33(29,30)16-9-7-15(8-10-16)26-11-3-6-20(26)27/h1-2,4-5,7-10,18H,3,6,11-14H2,(H2,24,28)/t18-/m0/s1
InChIKeyFJHWCBPZYSMIKB-SFHVURJKSA-N
XLogP2.89
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(2R)-2-(2-carbamoyl-1-benzothiophen-3-yl)morpholin-4-yl]sulfonylbenzoate
CID 164708224
3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxamide
CID 110089169
3-[(2R)-4-(2,4,6-trimethylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 164708227
3-[4-(oxan-4-ylsulfonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 154997106
3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 164708202
1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]pyrrolidin-2-one
CID 42949954
3-[(2R)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 164708175
3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid
CID 164708196
3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619349
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one;hydrochloride
CID 120767021
3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618919
1-[4-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 110739907

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide (CID 164708198) is 3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide is NC(=O)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CCO1.
What is the InChIKey of 3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is FJHWCBPZYSMIKB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23N3O5S2/c24-23(28)22-21(17-4-1-2-5-19(17)32-22)18-14-25(12-13-31-18)33(29,30)16-9-7-15(8-10-16)26-11-3-6-20(26)27/h1-2,4-5,7-10,18H,3,6,11-14H2,(H2,24,28)/t18-/m0/s1.
What are the key properties of 3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide?
3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 164708198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).