N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide

C23H33N3O4S2 — CID 55822574

IUPACN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
SMILESCC1CCN(C(CNC(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)c2cccs2)CC1
InChIInChI=1S/C23H33N3O4S2/c1-17(2)30-20-8-6-19(7-9-20)25-32(28,29)16-23(27)24-15-21(22-5-4-14-31-22)26-12-10-18(3)11-13-26/h4-9,14,17-18,21,25H,10-13,15-16H2,1-3H3,(H,24,27)
InChIKeyTYVHDTUPTBFGAS-UHFFFAOYSA-N
MW479.67 g/mol
LogP3.87
Rot. Bonds10

About N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide (PubChem CID 55822574) has the molecular formula C23H33N3O4S2 and a molecular weight of 479.67 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
PubChem CID55822574
Molecular FormulaC23H33N3O4S2
Molecular Weight479.67 g/mol
Exact Mass479.19
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
SMILESCC1CCN(C(CNC(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)c2cccs2)CC1
InChIInChI=1S/C23H33N3O4S2/c1-17(2)30-20-8-6-19(7-9-20)25-32(28,29)16-23(27)24-15-21(22-5-4-14-31-22)26-12-10-18(3)11-13-26/h4-9,14,17-18,21,25H,10-13,15-16H2,1-3H3,(H,24,27)
InChIKeyTYVHDTUPTBFGAS-UHFFFAOYSA-N
XLogP3.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
2-(4-chlorophenoxy)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577511
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 43003426
2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride
CID 146052459
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577553
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 39948405
N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide
CID 17012146
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 87000650

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide (CID 55822574) is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide is CC1CCN(C(CNC(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The InChIKey is TYVHDTUPTBFGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S2/c1-17(2)30-20-8-6-19(7-9-20)25-32(28,29)16-23(27)24-15-21(22-5-4-14-31-22)26-12-10-18(3)11-13-26/h4-9,14,17-18,21,25H,10-13,15-16H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide has a molecular weight of 479.67 g/mol, XLogP of 3.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide is sourced from PubChem (CID 55822574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).