5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

C20H20BrN5O3S2 — CID 92906227

IUPAC5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C([C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H20BrN5O3S2/c21-16-7-8-17(30-16)31(28,29)24-18(15-5-2-1-3-6-15)19(27)25-11-13-26(14-12-25)20-22-9-4-10-23-20/h1-10,18,24H,11-14H2/t18-/m1/s1
InChIKeyAXBDVNKSVAJCJW-GOSISDBHSA-N
MW522.45 g/mol
LogP2.67
Rot. Bonds6

About 5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 92906227) has the molecular formula C20H20BrN5O3S2 and a molecular weight of 522.45 g/mol. Its IUPAC name is 5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID92906227
Molecular FormulaC20H20BrN5O3S2
Molecular Weight522.45 g/mol
Exact Mass521.02
IUPAC Name5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C([C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H20BrN5O3S2/c21-16-7-8-17(30-16)31(28,29)24-18(15-5-2-1-3-6-15)19(27)25-11-13-26(14-12-25)20-22-9-4-10-23-20/h1-10,18,24H,11-14H2/t18-/m1/s1
InChIKeyAXBDVNKSVAJCJW-GOSISDBHSA-N
XLogP2.67
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide 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

methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetate
CID 3675533
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
5-ethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
CID 110286882
2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 15999950
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
CID 15991705
5-bromo-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 55833530
3-amino-2-methyl-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 119827962
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid
CID 107314957
3-amino-2-methyl-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119827961
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 110286822
(E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide
CID 9269227

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 92906227) is 5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is O=C([C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is AXBDVNKSVAJCJW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20BrN5O3S2/c21-16-7-8-17(30-16)31(28,29)24-18(15-5-2-1-3-6-15)19(27)25-11-13-26(14-12-25)20-22-9-4-10-23-20/h1-10,18,24H,11-14H2/t18-/m1/s1.
What are the key properties of 5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 522.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R)-2-oxo-1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 92906227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).