1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide

C20H20N2O4S — CID 29132342

IUPAC1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(NC[C@H]2CCCO2)c2ccccc2S1(=O)=O
InChIInChI=1S/C20H20N2O4S/c23-20(22-14-7-2-1-3-8-14)19-18(21-13-15-9-6-12-26-15)16-10-4-5-11-17(16)27(19,24)25/h1-5,7-8,10-11,15,21H,6,9,12-13H2,(H,22,23)/t15-/m1/s1
InChIKeyOYIJXJZZMFOZAN-OAHLLOKOSA-N
MW384.46 g/mol
LogP2.55
Rot. Bonds5

About 1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide

1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide (PubChem CID 29132342) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide
PubChem CID29132342
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(NC[C@H]2CCCO2)c2ccccc2S1(=O)=O
InChIInChI=1S/C20H20N2O4S/c23-20(22-14-7-2-1-3-8-14)19-18(21-13-15-9-6-12-26-15)16-10-4-5-11-17(16)27(19,24)25/h1-5,7-8,10-11,15,21H,6,9,12-13H2,(H,22,23)/t15-/m1/s1
InChIKeyOYIJXJZZMFOZAN-OAHLLOKOSA-N
XLogP2.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252640
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981171
3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981202
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
3-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 51303613
1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea
CID 51455340
N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide (CID 29132342) is 1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1)C1=C(NC[C@H]2CCCO2)c2ccccc2S1(=O)=O.
What is the InChIKey of 1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide?
The InChIKey is OYIJXJZZMFOZAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N2O4S/c23-20(22-14-7-2-1-3-8-14)19-18(21-13-15-9-6-12-26-15)16-10-4-5-11-17(16)27(19,24)25/h1-5,7-8,10-11,15,21H,6,9,12-13H2,(H,22,23)/t15-/m1/s1.
What are the key properties of 1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide?
1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3-[[(2R)-oxolan-2-yl]methylamino]-N-phenyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 29132342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).