N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide

C20H27N3O3S2 — CID 60556582

IUPACN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)CNS(=O)(=O)c3cccs3)cc2)C1
InChIInChI=1S/C20H27N3O3S2/c1-16-4-2-10-23(14-16)15-18-8-6-17(7-9-18)12-21-19(24)13-22-28(25,26)20-5-3-11-27-20/h3,5-9,11,16,22H,2,4,10,12-15H2,1H3,(H,21,24)
InChIKeyYEEIVOSPDUFLQF-UHFFFAOYSA-N
MW421.59 g/mol
LogP2.57
Rot. Bonds8

About N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide

N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 60556582) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID60556582
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC NameN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)CNS(=O)(=O)c3cccs3)cc2)C1
InChIInChI=1S/C20H27N3O3S2/c1-16-4-2-10-23(14-16)15-18-8-6-17(7-9-18)12-21-19(24)13-22-28(25,26)20-5-3-11-27-20/h3,5-9,11,16,22H,2,4,10,12-15H2,1H3,(H,21,24)
InChIKeyYEEIVOSPDUFLQF-UHFFFAOYSA-N
XLogP2.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 112993206
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 46465675
3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 46470241
1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845495
4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120595227
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 36527366
N-[(4-pyrazol-1-ylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 51122550
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 36664417
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 87018008
N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 60556218

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide (CID 60556582) is N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide is CC1CCCN(Cc2ccc(CNC(=O)CNS(=O)(=O)c3cccs3)cc2)C1.
What is the InChIKey of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is YEEIVOSPDUFLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-16-4-2-10-23(14-16)15-18-8-6-17(7-9-18)12-21-19(24)13-22-28(25,26)20-5-3-11-27-20/h3,5-9,11,16,22H,2,4,10,12-15H2,1H3,(H,21,24).
What are the key properties of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 421.59 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 60556582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).