N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C19H27N3O3S3 — CID 39948405

IUPACN-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCC1CCN([C@@H](CNC(=O)CN(C)S(=O)(=O)c2cccs2)c2cccs2)CC1
InChIInChI=1S/C19H27N3O3S3/c1-15-7-9-22(10-8-15)16(17-5-3-11-26-17)13-20-18(23)14-21(2)28(24,25)19-6-4-12-27-19/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyFJVYOEYBGJAGHJ-INIZCTEOSA-N
MW441.64 g/mol
LogP3.02
Rot. Bonds8

About N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 39948405) has the molecular formula C19H27N3O3S3 and a molecular weight of 441.64 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID39948405
Molecular FormulaC19H27N3O3S3
Molecular Weight441.64 g/mol
Exact Mass441.12
IUPAC NameN-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCC1CCN([C@@H](CNC(=O)CN(C)S(=O)(=O)c2cccs2)c2cccs2)CC1
InChIInChI=1S/C19H27N3O3S3/c1-15-7-9-22(10-8-15)16(17-5-3-11-26-17)13-20-18(23)14-21(2)28(24,25)19-6-4-12-27-19/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyFJVYOEYBGJAGHJ-INIZCTEOSA-N
XLogP3.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.64
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
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
1,1,2-trimethyl-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111323449
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
2-[acetyl(methyl)amino]-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 94091306
4-bromo-N-[2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 112768607
2-(4-chlorophenoxy)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577511
1-methyl-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-6-oxopyridazine-3-carboxamide
CID 34942270

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 39948405) is N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CC1CCN([C@@H](CNC(=O)CN(C)S(=O)(=O)c2cccs2)c2cccs2)CC1.
What is the InChIKey of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is FJVYOEYBGJAGHJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O3S3/c1-15-7-9-22(10-8-15)16(17-5-3-11-26-17)13-20-18(23)14-21(2)28(24,25)19-6-4-12-27-19/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 441.64 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 39948405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).