N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide

C19H25N3O3S2 — CID 2104291

IUPACN-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C)c(C)c1CN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H25N3O3S2/c1-14-15(2)26-19(20-16(3)23)18(14)13-21-9-11-22(12-10-21)27(24,25)17-7-5-4-6-8-17/h4-8H,9-13H2,1-3H3,(H,20,23)
InChIKeyKQUICZOSRWZWAH-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.83
Rot. Bonds5

About N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide

N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide (PubChem CID 2104291) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide
PubChem CID2104291
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C)c(C)c1CN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H25N3O3S2/c1-14-15(2)26-19(20-16(3)23)18(14)13-21-9-11-22(12-10-21)27(24,25)17-7-5-4-6-8-17/h4-8H,9-13H2,1-3H3,(H,20,23)
InChIKeyKQUICZOSRWZWAH-UHFFFAOYSA-N
XLogP2.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4,5-dimethylthiophen-2-yl]acetamide
CID 3984749
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide
CID 7189699
3-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
CID 7287147
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-tosylpropanamide
CID 16799519
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-((4-fluorophenyl)sulfonyl)acetamide
CID 16799559
N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide
CID 2384045
N-(3-cyano-2-thiophenyl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide
CID 2499398
N-(3-cyanothiophen-2-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 2500191
N-(3-cyano-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(phenylsulfonyl)propanamide hydrochloride
CID 16798811
N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 2901196
(2S)-N-(4-ethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propanamide
CID 40099436
N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide
CID 2126365

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide?
The IUPAC name of N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide (CID 2104291) is N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide.
What is the SMILES notation for N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide?
The canonical SMILES for N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide is CC(=O)Nc1sc(C)c(C)c1CN1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide?
The InChIKey is KQUICZOSRWZWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-14-15(2)26-19(20-16(3)23)18(14)13-21-9-11-22(12-10-21)27(24,25)17-7-5-4-6-8-17/h4-8H,9-13H2,1-3H3,(H,20,23).
What are the key properties of N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide?
N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide has a molecular weight of 407.56 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide is sourced from PubChem (CID 2104291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).