2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide

C17H27BrN4O4S2 — CID 55410550

IUPAC2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C17H27BrN4O4S2/c1-17(2,3)19-14(23)11-20(4)15(24)12-21-7-9-22(10-8-21)28(25,26)16-6-5-13(18)27-16/h5-6H,7-12H2,1-4H3,(H,19,23)
InChIKeyTUUHHSHTQAFBLK-UHFFFAOYSA-N
MW495.47 g/mol
LogP1.19
Rot. Bonds6

About 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide

2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide (PubChem CID 55410550) has the molecular formula C17H27BrN4O4S2 and a molecular weight of 495.47 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
PubChem CID55410550
Molecular FormulaC17H27BrN4O4S2
Molecular Weight495.47 g/mol
Exact Mass494.07
IUPAC Name2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C17H27BrN4O4S2/c1-17(2,3)19-14(23)11-20(4)15(24)12-21-7-9-22(10-8-21)28(25,26)16-6-5-13(18)27-16/h5-6H,7-12H2,1-4H3,(H,19,23)
InChIKeyTUUHHSHTQAFBLK-UHFFFAOYSA-N
XLogP1.19
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide 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

2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 29354188
N-[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 8685029
2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-tert-butylacetamide
CID 40680174
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 38797770
2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
CID 27133312
N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide
CID 55627416
1-(5-bromothiophen-2-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55332211
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 55529294
1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9298446
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-tert-butylacetamide
CID 40751750
1-(5-bromothiophen-2-yl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine
CID 9442908

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide (CID 55410550) is 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)NC(C)(C)C)C(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is TUUHHSHTQAFBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN4O4S2/c1-17(2,3)19-14(23)11-20(4)15(24)12-21-7-9-22(10-8-21)28(25,26)16-6-5-13(18)27-16/h5-6H,7-12H2,1-4H3,(H,19,23).
What are the key properties of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide?
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 495.47 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 55410550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).