4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C18H23N3O3S2 — CID 119578855

IUPAC4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC1CN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CCN1
InChIInChI=1S/C18H23N3O3S2/c1-14-13-21(11-10-19-14)18(22)15-4-6-17(7-5-15)26(23,24)20-9-8-16-3-2-12-25-16/h2-7,12,14,19-20H,8-11,13H2,1H3
InChIKeyWFWHHQKBERBLLR-UHFFFAOYSA-N
MW393.53 g/mol
LogP1.70
Rot. Bonds6

About 4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 119578855) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID119578855
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC1CN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CCN1
InChIInChI=1S/C18H23N3O3S2/c1-14-13-21(11-10-19-14)18(22)15-4-6-17(7-5-15)26(23,24)20-9-8-16-3-2-12-25-16/h2-7,12,14,19-20H,8-11,13H2,1H3
InChIKeyWFWHHQKBERBLLR-UHFFFAOYSA-N
XLogP1.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 119580645
4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 31852345
4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 31884047
N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 119512591
1-[4-(thiophen-2-ylmethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354937
4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119578076
N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119580119
4-fluoro-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119576233
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119576498
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 46596325

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 119578855) is 4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is CC1CN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CCN1.
What is the InChIKey of 4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is WFWHHQKBERBLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-14-13-21(11-10-19-14)18(22)15-4-6-17(7-5-15)26(23,24)20-9-8-16-3-2-12-25-16/h2-7,12,14,19-20H,8-11,13H2,1H3.
What are the key properties of 4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 393.53 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperazine-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 119578855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).