N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide

C19H24N2O4S — CID 92619469

IUPACN-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)COC(C)C)CCO1
InChIInChI=1S/C19H24N2O4S/c1-12(2)25-11-16(22)21-8-9-24-14(10-21)17-13-6-4-5-7-15(13)26-18(17)19(23)20-3/h4-7,12,14H,8-11H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeySYGVJNDFYDWBKQ-CQSZACIVSA-N
MW376.48 g/mol
LogP2.59
Rot. Bonds5

About N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide

N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 92619469) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID92619469
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)COC(C)C)CCO1
InChIInChI=1S/C19H24N2O4S/c1-12(2)25-11-16(22)21-8-9-24-14(10-21)17-13-6-4-5-7-15(13)26-18(17)19(23)20-3/h4-7,12,14H,8-11H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeySYGVJNDFYDWBKQ-CQSZACIVSA-N
XLogP2.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 129360930
N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110269854
N-[2-(dimethylamino)ethyl]-3-[(2S)-4-(3-methylbutanoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619609
3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 92618942
3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide
CID 110251688
3-[4-(1-methyl-6-oxopyridine-3-carbonyl)morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110251191
3-[(2R)-4-[2-(azepan-1-yl)acetyl]morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619426
N,N-dimethyl-3-[1-(2-propan-2-yloxyacetyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 110251107
3-[(2S)-4-acetylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 125023417
3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 110251209
N-methyl-3-[4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259853
N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95830331

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide (CID 92619469) is N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide is CNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)COC(C)C)CCO1.
What is the InChIKey of N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is SYGVJNDFYDWBKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-12(2)25-11-16(22)21-8-9-24-14(10-21)17-13-6-4-5-7-15(13)26-18(17)19(23)20-3/h4-7,12,14H,8-11H2,1-3H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 92619469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).