(3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide

C14H13N3O3S — CID 69044545

IUPAC(3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide
SMILESN[C@@H]1CS(=O)(=O)c2cc(C(=O)Nc3ccncc3)ccc21
InChIInChI=1S/C14H13N3O3S/c15-12-8-21(19,20)13-7-9(1-2-11(12)13)14(18)17-10-3-5-16-6-4-10/h1-7,12H,8,15H2,(H,16,17,18)/t12-/m1/s1
InChIKeyVKLRZTWJQUKVKY-GFCCVEGCSA-N
MW303.34 g/mol
LogP1.12
Rot. Bonds2

About (3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide

(3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide (PubChem CID 69044545) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is (3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide.

Molecular Properties

Compound Name(3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide
PubChem CID69044545
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name(3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide
SMILESN[C@@H]1CS(=O)(=O)c2cc(C(=O)Nc3ccncc3)ccc21
InChIInChI=1S/C14H13N3O3S/c15-12-8-21(19,20)13-7-9(1-2-11(12)13)14(18)17-10-3-5-16-6-4-10/h1-7,12H,8,15H2,(H,16,17,18)/t12-/m1/s1
InChIKeyVKLRZTWJQUKVKY-GFCCVEGCSA-N
XLogP1.12
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide with MolForge

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Related Compounds

5-amino-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 11323111
(5R)-5-amino-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 69046909
(4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide
CID 57429972
1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide
CID 70972162
5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 20824455
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
3-carbamothioyl-N-pyridin-4-ylbenzamide
CID 24700505
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide?
The IUPAC name of (3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide (CID 69044545) is (3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide.
What is the SMILES notation for (3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide?
The canonical SMILES for (3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide is N[C@@H]1CS(=O)(=O)c2cc(C(=O)Nc3ccncc3)ccc21.
What is the InChIKey of (3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide?
The InChIKey is VKLRZTWJQUKVKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13N3O3S/c15-12-8-21(19,20)13-7-9(1-2-11(12)13)14(18)17-10-3-5-16-6-4-10/h1-7,12H,8,15H2,(H,16,17,18)/t12-/m1/s1.
What are the key properties of (3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide?
(3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide is sourced from PubChem (CID 69044545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).