N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide

C16H27N3O3S2 — CID 17458832

IUPACN-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(C)C(C)C)CC2)s1
InChIInChI=1S/C16H27N3O3S2/c1-12(2)14(4)17-15(20)11-18-7-9-19(10-8-18)24(21,22)16-6-5-13(3)23-16/h5-6,12,14H,7-11H2,1-4H3,(H,17,20)
InChIKeyRPBRCBFPYLTXGS-UHFFFAOYSA-N
MW373.54 g/mol
LogP1.52
Rot. Bonds6

About N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide

N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 17458832) has the molecular formula C16H27N3O3S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID17458832
Molecular FormulaC16H27N3O3S2
Molecular Weight373.54 g/mol
Exact Mass373.15
IUPAC NameN-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(C)C(C)C)CC2)s1
InChIInChI=1S/C16H27N3O3S2/c1-12(2)14(4)17-15(20)11-18-7-9-19(10-8-18)24(21,22)16-6-5-13(3)23-16/h5-6,12,14H,7-11H2,1-4H3,(H,17,20)
InChIKeyRPBRCBFPYLTXGS-UHFFFAOYSA-N
XLogP1.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8554158
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8553724
N-(3-chlorophenyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 26390002
1-(azepan-1-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 26390006
1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 27429093
N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8678550
4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide
CID 51935304
N-[(2R)-3-methylbutan-2-yl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 8553864
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 40941996
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40941994
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 26424229
N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 17457260

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide (CID 17458832) is N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(C)C(C)C)CC2)s1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is RPBRCBFPYLTXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S2/c1-12(2)14(4)17-15(20)11-18-7-9-19(10-8-18)24(21,22)16-6-5-13(3)23-16/h5-6,12,14H,7-11H2,1-4H3,(H,17,20).
What are the key properties of N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide?
N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 373.54 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 17458832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).