2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide

C24H34N4O2S — CID 75865101

IUPAC2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)NCC(c2cccs2)N2CCC(C)CC2)c(C)c1
InChIInChI=1S/C24H34N4O2S/c1-16-7-9-28(10-8-16)20(21-6-5-11-31-21)14-25-24(30)26-15-22(29)27-23-18(3)12-17(2)13-19(23)4/h5-6,11-13,16,20H,7-10,14-15H2,1-4H3,(H,27,29)(H2,25,26,30)
InChIKeyAGPMTAYXSVBMRM-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.38
Rot. Bonds7

About 2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 75865101) has the molecular formula C24H34N4O2S and a molecular weight of 442.63 g/mol. Its IUPAC name is 2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID75865101
Molecular FormulaC24H34N4O2S
Molecular Weight442.63 g/mol
Exact Mass442.24
IUPAC Name2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)NCC(c2cccs2)N2CCC(C)CC2)c(C)c1
InChIInChI=1S/C24H34N4O2S/c1-16-7-9-28(10-8-16)20(21-6-5-11-31-21)14-25-24(30)26-15-22(29)27-23-18(3)12-17(2)13-19(23)4/h5-6,11-13,16,20H,7-10,14-15H2,1-4H3,(H,27,29)(H2,25,26,30)
InChIKeyAGPMTAYXSVBMRM-UHFFFAOYSA-N
XLogP4.38
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

2-[[N'-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamimidoyl]amino]-N-phenylacetamide
CID 111323250
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577553
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 55349829
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 38705329
4-bromo-N-[2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 112768607
1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94173591
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
2-(2,3-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577562
1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 55527298

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 75865101) is 2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNC(=O)NCC(c2cccs2)N2CCC(C)CC2)c(C)c1.
What is the InChIKey of 2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is AGPMTAYXSVBMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2S/c1-16-7-9-28(10-8-16)20(21-6-5-11-31-21)14-25-24(30)26-15-22(29)27-23-18(3)12-17(2)13-19(23)4/h5-6,11-13,16,20H,7-10,14-15H2,1-4H3,(H,27,29)(H2,25,26,30).
What are the key properties of 2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 442.63 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 75865101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).