N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide

C16H27N3O3S2 — CID 17457260

IUPACN-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C)C(=O)NC(C)(C)C)CC2)s1
InChIInChI=1S/C16H27N3O3S2/c1-12-6-7-14(23-12)24(21,22)19-10-8-18(9-11-19)13(2)15(20)17-16(3,4)5/h6-7,13H,8-11H2,1-5H3,(H,17,20)
InChIKeyJSHHGQJCIIZQRK-UHFFFAOYSA-N
MW373.54 g/mol
LogP1.67
Rot. Bonds4

About N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide

N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 17457260) has the molecular formula C16H27N3O3S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
PubChem CID17457260
Molecular FormulaC16H27N3O3S2
Molecular Weight373.54 g/mol
Exact Mass373.15
IUPAC NameN-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(C)C(=O)NC(C)(C)C)CC2)s1
InChIInChI=1S/C16H27N3O3S2/c1-12-6-7-14(23-12)24(21,22)19-10-8-18(9-11-19)13(2)15(20)17-16(3,4)5/h6-7,13H,8-11H2,1-5H3,(H,17,20)
InChIKeyJSHHGQJCIIZQRK-UHFFFAOYSA-N
XLogP1.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide
CID 110811127
(2R)-N-(1-adamantylcarbamoyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 26424151
N-tert-butyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 51242936
(2R)-N-tert-butyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493066
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 55355706
4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide
CID 51935304
N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 17458832
(2S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 9304383
N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680027
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 74628799
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
CID 46563308
2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile
CID 63341269

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide (CID 17457260) is N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide is Cc1ccc(S(=O)(=O)N2CCN(C(C)C(=O)NC(C)(C)C)CC2)s1.
What is the InChIKey of N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is JSHHGQJCIIZQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S2/c1-12-6-7-14(23-12)24(21,22)19-10-8-18(9-11-19)13(2)15(20)17-16(3,4)5/h6-7,13H,8-11H2,1-5H3,(H,17,20).
What are the key properties of N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide?
N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 373.54 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 17457260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).