N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

C18H23N3O3S — CID 119646754

IUPACN-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCNCC1CCN(C(=O)c2ccsc2NC(=O)c2ccco2)CC1
InChIInChI=1S/C18H23N3O3S/c1-2-19-12-13-5-8-21(9-6-13)18(23)14-7-11-25-17(14)20-16(22)15-4-3-10-24-15/h3-4,7,10-11,13,19H,2,5-6,8-9,12H2,1H3,(H,20,22)
InChIKeyCWGZLGBEZBSZFG-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.06
Rot. Bonds6

About N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 119646754) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID119646754
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCNCC1CCN(C(=O)c2ccsc2NC(=O)c2ccco2)CC1
InChIInChI=1S/C18H23N3O3S/c1-2-19-12-13-5-8-21(9-6-13)18(23)14-7-11-25-17(14)20-16(22)15-4-3-10-24-15/h3-4,7,10-11,13,19H,2,5-6,8-9,12H2,1H3,(H,20,22)
InChIKeyCWGZLGBEZBSZFG-UHFFFAOYSA-N
XLogP3.06
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119485706
4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide
CID 119648185
N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119637667
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119645055
N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 95617774
N-[3-(piperidin-3-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119462737
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646387
N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119628741
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119457842

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (CID 119646754) is N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is CCNCC1CCN(C(=O)c2ccsc2NC(=O)c2ccco2)CC1.
What is the InChIKey of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is CWGZLGBEZBSZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-19-12-13-5-8-21(9-6-13)18(23)14-7-11-25-17(14)20-16(22)15-4-3-10-24-15/h3-4,7,10-11,13,19H,2,5-6,8-9,12H2,1H3,(H,20,22).
What are the key properties of N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 119646754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).