3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide

C17H17N3O3S — CID 91798129

IUPAC3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide
SMILESN#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2sccc2N)cc1
InChIInChI=1S/C17H17N3O3S/c18-9-11-1-3-12(4-2-11)23-15-10-22-7-5-14(15)20-17(21)16-13(19)6-8-24-16/h1-4,6,8,14-15H,5,7,10,19H2,(H,20,21)/t14-,15-/m1/s1
InChIKeyIBKUJWXPSQRPJS-HUUCEWRRSA-N
MW343.41 g/mol
LogP2.17
Rot. Bonds4

About 3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide

3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide (PubChem CID 91798129) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide
PubChem CID91798129
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide
SMILESN#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2sccc2N)cc1
InChIInChI=1S/C17H17N3O3S/c18-9-11-1-3-12(4-2-11)23-15-10-22-7-5-14(15)20-17(21)16-13(19)6-8-24-16/h1-4,6,8,14-15H,5,7,10,19H2,(H,20,21)/t14-,15-/m1/s1
InChIKeyIBKUJWXPSQRPJS-HUUCEWRRSA-N
XLogP2.17
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 91779564
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 91778480
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91775509
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 91762696
3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
CID 91768615
3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91764238
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
CID 91760636
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide
CID 91788390
3-amino-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 61112790
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
CID 91770875
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91777220
4-[(3S,4R)-4-[(2,5-dimethylfuran-3-carbonyl)amino]oxan-3-yl]oxybenzoic acid
CID 91796230

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide (CID 91798129) is 3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide is N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2sccc2N)cc1.
What is the InChIKey of 3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide?
The InChIKey is IBKUJWXPSQRPJS-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H17N3O3S/c18-9-11-1-3-12(4-2-11)23-15-10-22-7-5-14(15)20-17(21)16-13(19)6-8-24-16/h1-4,6,8,14-15H,5,7,10,19H2,(H,20,21)/t14-,15-/m1/s1.
What are the key properties of 3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide?
3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91798129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).