N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide

C20H27N3O3S2 — CID 55376317

IUPACN-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C20H27N3O3S2/c1-3-16(2)21-28(25,26)19-8-6-17(7-9-19)20(24)23-12-10-22(11-13-23)15-18-5-4-14-27-18/h4-9,14,16,21H,3,10-13,15H2,1-2H3
InChIKeyBNDHKBZKMLAXIP-UHFFFAOYSA-N
MW421.59 g/mol
LogP2.78
Rot. Bonds7

About N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide

N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 55376317) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID55376317
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC NameN-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C20H27N3O3S2/c1-3-16(2)21-28(25,26)19-8-6-17(7-9-19)20(24)23-12-10-22(11-13-23)15-18-5-4-14-27-18/h4-9,14,16,21H,3,10-13,15H2,1-2H3
InChIKeyBNDHKBZKMLAXIP-UHFFFAOYSA-N
XLogP2.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide with MolForge

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Related Compounds

4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide
CID 55346373
N,N-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30507275
N-butan-2-yl-4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 55718950
N-butan-2-yl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55456258
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
2-(butan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671567
N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 134001749
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
(1-propan-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 70720101
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 134036779
tert-butyl N-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]carbamate
CID 9472319
2-(propan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671249

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide (CID 55376317) is N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1.
What is the InChIKey of N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is BNDHKBZKMLAXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-3-16(2)21-28(25,26)19-8-6-17(7-9-19)20(24)23-12-10-22(11-13-23)15-18-5-4-14-27-18/h4-9,14,16,21H,3,10-13,15H2,1-2H3.
What are the key properties of N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 421.59 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55376317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).