N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide

C17H19N3O3S — CID 119457842

IUPACN-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1sccc1C(=O)NC1CC2CCC(C1)N2)c1ccco1
InChIInChI=1S/C17H19N3O3S/c21-15(19-12-8-10-3-4-11(9-12)18-10)13-5-7-24-17(13)20-16(22)14-2-1-6-23-14/h1-2,5-7,10-12,18H,3-4,8-9H2,(H,19,21)(H,20,22)
InChIKeyPXFKYXDHMJCGMA-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.61
Rot. Bonds4

About N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide

N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide (PubChem CID 119457842) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
PubChem CID119457842
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1sccc1C(=O)NC1CC2CCC(C1)N2)c1ccco1
InChIInChI=1S/C17H19N3O3S/c21-15(19-12-8-10-3-4-11(9-12)18-10)13-5-7-24-17(13)20-16(22)14-2-1-6-23-14/h1-2,5-7,10-12,18H,3-4,8-9H2,(H,19,21)(H,20,22)
InChIKeyPXFKYXDHMJCGMA-UHFFFAOYSA-N
XLogP2.61
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119637667
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119590926
N-[3-(piperidin-3-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119462737
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119628741
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 119646754
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119485706
N-(7-azabicyclo[2.2.1]heptan-2-yl)furan-2-carboxamide
CID 155850992
2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid
CID 43357386
(2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363906
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119459139
N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 95617774

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide (CID 119457842) is N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide is O=C(Nc1sccc1C(=O)NC1CC2CCC(C1)N2)c1ccco1.
What is the InChIKey of N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The InChIKey is PXFKYXDHMJCGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-15(19-12-8-10-3-4-11(9-12)18-10)13-5-7-24-17(13)20-16(22)14-2-1-6-23-14/h1-2,5-7,10-12,18H,3-4,8-9H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 119457842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).