4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide

C20H25N3O4S2 — CID 24733027

IUPAC4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCS(=O)(=O)c2ccccc2)CCN1C(=O)Cc1cccs1
InChIInChI=1S/C20H25N3O4S2/c1-21-20(25)18-15-22(11-13-29(26,27)17-7-3-2-4-8-17)9-10-23(18)19(24)14-16-6-5-12-28-16/h2-8,12,18H,9-11,13-15H2,1H3,(H,21,25)
InChIKeyHVWCFJWIWRZKFS-UHFFFAOYSA-N
MW435.57 g/mol
LogP1.02
Rot. Bonds7

About 4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide

4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide (PubChem CID 24733027) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide
PubChem CID24733027
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC Name4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCS(=O)(=O)c2ccccc2)CCN1C(=O)Cc1cccs1
InChIInChI=1S/C20H25N3O4S2/c1-21-20(25)18-15-22(11-13-29(26,27)17-7-3-2-4-8-17)9-10-23(18)19(24)14-16-6-5-12-28-16/h2-8,12,18H,9-11,13-15H2,1H3,(H,21,25)
InChIKeyHVWCFJWIWRZKFS-UHFFFAOYSA-N
XLogP1.02
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-cyanophenoxy)propyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide
CID 24733080
1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145
4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 110257743
(2S,4R)-4-hydroxy-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid
CID 30118146
2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-N-methylethanamine
CID 143882421
4-benzyl-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-2-carboxamide
CID 175657840
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175659103
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175658408
1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 23770821
(2R)-4-[3-(benzenesulfonyl)propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945665
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119541022

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide?
The IUPAC name of 4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide (CID 24733027) is 4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide?
The canonical SMILES for 4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide is CNC(=O)C1CN(CCS(=O)(=O)c2ccccc2)CCN1C(=O)Cc1cccs1.
What is the InChIKey of 4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide?
The InChIKey is HVWCFJWIWRZKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c1-21-20(25)18-15-22(11-13-29(26,27)17-7-3-2-4-8-17)9-10-23(18)19(24)14-16-6-5-12-28-16/h2-8,12,18H,9-11,13-15H2,1H3,(H,21,25).
What are the key properties of 4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide?
4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzenesulfonyl)ethyl]-N-methyl-1-(2-thiophen-2-ylacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 24733027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).