3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide

C21H28N2O4S2 — CID 92619349

IUPAC3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)C2CCCC2)CCO1
InChIInChI=1S/C21H28N2O4S2/c1-14(2)22-21(24)20-19(16-9-5-6-10-18(16)28-20)17-13-23(11-12-27-17)29(25,26)15-7-3-4-8-15/h5-6,9-10,14-15,17H,3-4,7-8,11-13H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyOXQQIVJJWLJLKJ-KRWDZBQOSA-N
MW436.60 g/mol
LogP3.69
Rot. Bonds5

About 3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide

3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 92619349) has the molecular formula C21H28N2O4S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
PubChem CID92619349
Molecular FormulaC21H28N2O4S2
Molecular Weight436.60 g/mol
Exact Mass436.15
IUPAC Name3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)C2CCCC2)CCO1
InChIInChI=1S/C21H28N2O4S2/c1-14(2)22-21(24)20-19(16-9-5-6-10-18(16)28-20)17-13-23(11-12-27-17)29(25,26)15-7-3-4-8-15/h5-6,9-10,14-15,17H,3-4,7-8,11-13H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyOXQQIVJJWLJLKJ-KRWDZBQOSA-N
XLogP3.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide 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

3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid
CID 164708196
3-[4-(oxan-4-ylsulfonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 154997106
3-[4-(1-methyl-6-oxopyridine-3-carbonyl)morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110251191
3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619340
3-[(2S)-4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619433
N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618961
3-[(2R)-4-[(2-ethylpyrimidin-5-yl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619375
3-[(2R)-4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619603
3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110251301
3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxamide
CID 110089169
methyl 4-[(2R)-2-(2-carbamoyl-1-benzothiophen-3-yl)morpholin-4-yl]sulfonylbenzoate
CID 164708224
N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619469

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide (CID 92619349) is 3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide is CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)C2CCCC2)CCO1.
What is the InChIKey of 3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is OXQQIVJJWLJLKJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N2O4S2/c1-14(2)22-21(24)20-19(16-9-5-6-10-18(16)28-20)17-13-23(11-12-27-17)29(25,26)15-7-3-4-8-15/h5-6,9-10,14-15,17H,3-4,7-8,11-13H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of 3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?
3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 92619349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).