4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide

C22H29N3O2S — CID 119648185

IUPAC4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide
SMILESCCNCC1CCN(C(=O)c2ccsc2NC(=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C22H29N3O2S/c1-3-16-5-7-18(8-6-16)20(26)24-21-19(11-14-28-21)22(27)25-12-9-17(10-13-25)15-23-4-2/h5-8,11,14,17,23H,3-4,9-10,12-13,15H2,1-2H3,(H,24,26)
InChIKeyWVPGFTKQFHECDI-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.02
Rot. Bonds7

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

4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide (PubChem CID 119648185) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide
PubChem CID119648185
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide
SMILESCCNCC1CCN(C(=O)c2ccsc2NC(=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C22H29N3O2S/c1-3-16-5-7-18(8-6-16)20(26)24-21-19(11-14-28-21)22(27)25-12-9-17(10-13-25)15-23-4-2/h5-8,11,14,17,23H,3-4,9-10,12-13,15H2,1-2H3,(H,24,26)
InChIKeyWVPGFTKQFHECDI-UHFFFAOYSA-N
XLogP4.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-4-propan-2-ylbenzamide;hydrochloride
CID 119483467
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119423582
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 154840874
(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551638
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
ethyl 2-[[4-(chloromethyl)benzoyl]amino]thiophene-3-carboxylate
CID 43167895

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide?
The IUPAC name of 4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide (CID 119648185) is 4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide is CCNCC1CCN(C(=O)c2ccsc2NC(=O)c2ccc(CC)cc2)CC1.
What is the InChIKey of 4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide?
The InChIKey is WVPGFTKQFHECDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-3-16-5-7-18(8-6-16)20(26)24-21-19(11-14-28-21)22(27)25-12-9-17(10-13-25)15-23-4-2/h5-8,11,14,17,23H,3-4,9-10,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of 4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide?
4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide has a molecular weight of 399.56 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 119648185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).