N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride

C19H24ClN3O2S2 — CID 120557228

IUPACN-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1.Cl
InChIInChI=1S/C19H23N3O2S2.ClH/c1-13-11-20-9-8-16(13)22-19(24)14-4-6-15(7-5-14)21-17(23)12-26-18-3-2-10-25-18;/h2-7,10,13,16,20H,8-9,11-12H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyMLABVJHXNHZIQL-UHFFFAOYSA-N
MW426.01 g/mol
LogP3.63
Rot. Bonds6

About N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride

N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride (PubChem CID 120557228) has the molecular formula C19H24ClN3O2S2 and a molecular weight of 426.01 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
PubChem CID120557228
Molecular FormulaC19H24ClN3O2S2
Molecular Weight426.01 g/mol
Exact Mass425.10
IUPAC NameN-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1.Cl
InChIInChI=1S/C19H23N3O2S2.ClH/c1-13-11-20-9-8-16(13)22-19(24)14-4-6-15(7-5-14)21-17(23)12-26-18-3-2-10-25-18;/h2-7,10,13,16,20H,8-9,11-12H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyMLABVJHXNHZIQL-UHFFFAOYSA-N
XLogP3.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.01
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120576394
N-[2-(methylamino)ethyl]-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 119500918
N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 120571931
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride
CID 120557656
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide
CID 120554475
N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
CID 119640623
N-(4-ethylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 23803925
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 119488912
N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide
CID 3334524
4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120554586

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride (CID 120557228) is N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride is CC1CNCCC1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride?
The InChIKey is MLABVJHXNHZIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2.ClH/c1-13-11-20-9-8-16(13)22-19(24)14-4-6-15(7-5-14)21-17(23)12-26-18-3-2-10-25-18;/h2-7,10,13,16,20H,8-9,11-12H2,1H3,(H,21,23)(H,22,24);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride has a molecular weight of 426.01 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 120557228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).