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

C19H24ClN3O2S2 — CID 120576394

IUPACN-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1.Cl
InChIInChI=1S/C19H23N3O2S2.ClH/c1-13-16(4-2-10-20-13)22-19(24)14-6-8-15(9-7-14)21-17(23)12-26-18-5-3-11-25-18;/h3,5-9,11,13,16,20H,2,4,10,12H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyGIIDUURUBIQUBP-UHFFFAOYSA-N
MW426.01 g/mol
LogP3.77
Rot. Bonds6

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

N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride (PubChem CID 120576394) has the molecular formula C19H24ClN3O2S2 and a molecular weight of 426.01 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
PubChem CID120576394
Molecular FormulaC19H24ClN3O2S2
Molecular Weight426.01 g/mol
Exact Mass425.10
IUPAC NameN-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1.Cl
InChIInChI=1S/C19H23N3O2S2.ClH/c1-13-16(4-2-10-20-13)22-19(24)14-6-8-15(9-7-14)21-17(23)12-26-18-5-3-11-25-18;/h3,5-9,11,13,16,20H,2,4,10,12H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyGIIDUURUBIQUBP-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120557228
N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 120571931
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 120574736
N-[2-(methylamino)ethyl]-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 119500918
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120574349
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 119488912
N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 120577071
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
CID 120577866
N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
CID 119640623
N-(4-ethylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 23803925

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride (CID 120576394) is N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride is CC1NCCCC1NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride?
The InChIKey is GIIDUURUBIQUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2.ClH/c1-13-16(4-2-10-20-13)22-19(24)14-6-8-15(9-7-14)21-17(23)12-26-18-5-3-11-25-18;/h3,5-9,11,13,16,20H,2,4,10,12H2,1H3,(H,21,23)(H,22,24);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride has a molecular weight of 426.01 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 120576394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).