N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide

C16H24N2O4S2 — CID 90592622

IUPACN-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)CCc2sccc2C)CC1
InChIInChI=1S/C16H24N2O4S2/c1-12-7-10-23-14(12)3-4-16(20)18-8-5-13(6-9-18)24(21,22)11-15(19)17-2/h7,10,13H,3-6,8-9,11H2,1-2H3,(H,17,19)
InChIKeyDAVXBPYMWBVDGX-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.14
Rot. Bonds6

About N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide

N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide (PubChem CID 90592622) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide
PubChem CID90592622
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC NameN-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)CCc2sccc2C)CC1
InChIInChI=1S/C16H24N2O4S2/c1-12-7-10-23-14(12)3-4-16(20)18-8-5-13(6-9-18)24(21,22)11-15(19)17-2/h7,10,13H,3-6,8-9,11H2,1-2H3,(H,17,19)
InChIKeyDAVXBPYMWBVDGX-UHFFFAOYSA-N
XLogP1.14
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-tert-butylsulfonylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 97427256
2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 72718859
3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one
CID 82511099
2-[1-[3-(4-chloro-3-fluorophenyl)propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 71809132
1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one
CID 90593830
N-methyl-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592518
2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592588
2-[1-(2-cyanoacetyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592698
1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-3-(3-methylthiophen-2-yl)propan-1-one
CID 121192083
N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592749
2-[1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592728
2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592550

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide?
The IUPAC name of N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide (CID 90592622) is N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide.
What is the SMILES notation for N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide?
The canonical SMILES for N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)CCc2sccc2C)CC1.
What is the InChIKey of N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide?
The InChIKey is DAVXBPYMWBVDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c1-12-7-10-23-14(12)3-4-16(20)18-8-5-13(6-9-18)24(21,22)11-15(19)17-2/h7,10,13H,3-6,8-9,11H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide?
N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide has a molecular weight of 372.51 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[3-(3-methylthiophen-2-yl)propanoyl]piperidin-4-yl]sulfonylacetamide is sourced from PubChem (CID 90592622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).