[4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone

C20H20N4O4S2 — CID 24996662

IUPAC[4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(C(=O)c2cnc[nH]2)s1
InChIInChI=1S/C20H20N4O4S2/c1-14-12-23(20(26)15-5-3-2-4-6-15)9-10-24(14)30(27,28)18-8-7-17(29-18)19(25)16-11-21-13-22-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,21,22)
InChIKeyFWWSVSRPNSHLRL-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.24
Rot. Bonds5

About [4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone

[4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone (PubChem CID 24996662) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is [4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
PubChem CID24996662
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC Name[4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(C(=O)c2cnc[nH]2)s1
InChIInChI=1S/C20H20N4O4S2/c1-14-12-23(20(26)15-5-3-2-4-6-15)9-10-24(14)30(27,28)18-8-7-17(29-18)19(25)16-11-21-13-22-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,21,22)
InChIKeyFWWSVSRPNSHLRL-UHFFFAOYSA-N
XLogP2.24
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone
CID 59007124
[4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
CID 75251241
[(3S)-4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone
CID 46910840
tert-butyl 3-methyl-4-[5-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazole-4-carbonyl]thiophen-2-yl]sulfonylpiperazine-1-carboxylate
CID 59007117
[(3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-phenylmethanone
CID 24749483
tert-butyl 3-methyl-4-[5-(1,2-oxazole-3-carbonyl)thiophen-2-yl]sulfonylpiperazine-1-carboxylate
CID 59007144
[4-[(5-fluoro-1H-indol-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone
CID 24749936
[(3R)-3-methyl-4-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone
CID 24992533
4-[(3S)-3-methyl-4-methylsulfonylpiperazine-1-carbonyl]benzoic acid
CID 120552705
[(3S)-3-methyl-4-[[7-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenylmethanone
CID 73350683
[3-methyl-4-[[7-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenylmethanone
CID 24748869
[4-[(7-azido-1H-pyrrolo[2,3-c]pyridin-3-yl)sulfonyl]-3-methylpiperazin-1-yl]-phenylmethanone
CID 24749265

Frequently Asked Questions

What is the IUPAC name of [4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone (CID 24996662) is [4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone is CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(C(=O)c2cnc[nH]2)s1.
What is the InChIKey of [4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone?
The InChIKey is FWWSVSRPNSHLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-14-12-23(20(26)15-5-3-2-4-6-15)9-10-24(14)30(27,28)18-8-7-17(29-18)19(25)16-11-21-13-22-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,21,22).
What are the key properties of [4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone?
[4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone has a molecular weight of 444.54 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(1H-imidazole-5-carbonyl)thiophen-2-yl]sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 24996662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).