N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride

C19H24ClN3O2S2 — CID 119488912

IUPACN-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1.Cl
InChIInChI=1S/C19H23N3O2S2.ClH/c1-20-16-4-2-10-22(12-16)19(24)14-6-8-15(9-7-14)21-17(23)13-26-18-5-3-11-25-18;/h3,5-9,11,16,20H,2,4,10,12-13H2,1H3,(H,21,23);1H
InChIKeyGZUWTGKZZUQVNP-UHFFFAOYSA-N
MW426.01 g/mol
LogP3.72
Rot. Bonds6

About N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride

N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride (PubChem CID 119488912) has the molecular formula C19H24ClN3O2S2 and a molecular weight of 426.01 g/mol. Its IUPAC name is N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
PubChem CID119488912
Molecular FormulaC19H24ClN3O2S2
Molecular Weight426.01 g/mol
Exact Mass425.10
IUPAC NameN-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1.Cl
InChIInChI=1S/C19H23N3O2S2.ClH/c1-20-16-4-2-10-22(12-16)19(24)14-6-8-15(9-7-14)21-17(23)13-26-18-5-3-11-25-18;/h3,5-9,11,16,20H,2,4,10,12-13H2,1H3,(H,21,23);1H
InChIKeyGZUWTGKZZUQVNP-UHFFFAOYSA-N
XLogP3.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.01
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 120808098
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119493216
N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 120571931
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
N-[2-(methylamino)ethyl]-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 119500918
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 124575021
2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119492236
N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120557228
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 119491037

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride?
The IUPAC name of N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride (CID 119488912) is N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride is CNC1CCCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1.Cl.
What is the InChIKey of N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride?
The InChIKey is GZUWTGKZZUQVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2.ClH/c1-20-16-4-2-10-22(12-16)19(24)14-6-8-15(9-7-14)21-17(23)13-26-18-5-3-11-25-18;/h3,5-9,11,16,20H,2,4,10,12-13H2,1H3,(H,21,23);1H.
What are the key properties of N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride?
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride has a molecular weight of 426.01 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 119488912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).