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

C19H24ClN3O2S2 — CID 120571931

IUPACN-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
SMILESCC1NCCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1C.Cl
InChIInChI=1S/C19H23N3O2S2.ClH/c1-13-14(2)22(10-9-20-13)19(24)15-5-7-16(8-6-15)21-17(23)12-26-18-4-3-11-25-18;/h3-8,11,13-14,20H,9-10,12H2,1-2H3,(H,21,23);1H
InChIKeyZKESIQKFHPMPRU-UHFFFAOYSA-N
MW426.01 g/mol
LogP3.72
Rot. Bonds5

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

N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride (PubChem CID 120571931) has the molecular formula C19H24ClN3O2S2 and a molecular weight of 426.01 g/mol. Its IUPAC name is N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
PubChem CID120571931
Molecular FormulaC19H24ClN3O2S2
Molecular Weight426.01 g/mol
Exact Mass425.10
IUPAC NameN-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
SMILESCC1NCCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1C.Cl
InChIInChI=1S/C19H23N3O2S2.ClH/c1-13-14(2)22(10-9-20-13)19(24)15-5-7-16(8-6-15)21-17(23)12-26-18-4-3-11-25-18;/h3-8,11,13-14,20H,9-10,12H2,1-2H3,(H,21,23);1H
InChIKeyZKESIQKFHPMPRU-UHFFFAOYSA-N
XLogP3.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120576394
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 119488912
N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120557228
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 120808098
N-(4-ethylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 23803925
N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide
CID 3334524
N-[2-(methylamino)ethyl]-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 119500918
N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride
CID 120571735
(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764
(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 120571312
1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone
CID 120571458
N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
CID 119640623

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride?
The IUPAC name of N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride (CID 120571931) is N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride is CC1NCCN(C(=O)c2ccc(NC(=O)CSc3cccs3)cc2)C1C.Cl.
What is the InChIKey of N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride?
The InChIKey is ZKESIQKFHPMPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2.ClH/c1-13-14(2)22(10-9-20-13)19(24)15-5-7-16(8-6-15)21-17(23)12-26-18-4-3-11-25-18;/h3-8,11,13-14,20H,9-10,12H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride?
N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride has a molecular weight of 426.01 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 120571931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).