2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide

C18H29N3O4S — CID 99967556

IUPAC2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H29N3O4S/c1-5-21(13-18(22)19-15-8-10-20(3)11-9-15)26(23,24)16-6-7-17(25-4)14(2)12-16/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,19,22)
InChIKeyQWCIQRWQNMDWLM-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.22
Rot. Bonds7

About 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide

2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 99967556) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID99967556
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H29N3O4S/c1-5-21(13-18(22)19-15-8-10-20(3)11-9-15)26(23,24)16-6-7-17(25-4)14(2)12-16/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,19,22)
InChIKeyQWCIQRWQNMDWLM-UHFFFAOYSA-N
XLogP1.22
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645415
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967406
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-cyclohexylacetamide
CID 92645599
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92645573
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 92645558
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 92645586
N-(1,3-benzodioxol-5-yl)-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645488
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92645567
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967188
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967313
2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
CID 2985758
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 99971076

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide (CID 99967556) is 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide is CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is QWCIQRWQNMDWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-5-21(13-18(22)19-15-8-10-20(3)11-9-15)26(23,24)16-6-7-17(25-4)14(2)12-16/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,19,22).
What are the key properties of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide?
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 383.51 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 99967556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).