3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide

C25H30N4O2S — CID 167922292

IUPAC3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C25H30N4O2S/c1-25(2,18-29(3)17-19-9-5-4-6-10-19)28-24(31)27-21-12-7-11-20(15-21)23(30)26-16-22-13-8-14-32-22/h4-15H,16-18H2,1-3H3,(H,26,30)(H2,27,28,31)
InChIKeyUBDJMTHMXUPXSV-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.71
Rot. Bonds9

About 3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide

3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 167922292) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is 3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID167922292
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccc(C(=O)NCc2cccs2)c1
InChIInChI=1S/C25H30N4O2S/c1-25(2,18-29(3)17-19-9-5-4-6-10-19)28-24(31)27-21-12-7-11-20(15-21)23(30)26-16-22-13-8-14-32-22/h4-15H,16-18H2,1-3H3,(H,26,30)(H2,27,28,31)
InChIKeyUBDJMTHMXUPXSV-UHFFFAOYSA-N
XLogP4.71
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(3-bromophenyl)methyl-ethylamino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381923
3-[(1-benzyl-4-methylpyrrolidin-3-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381978
3-[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381928
3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381990
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 46678082
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
3-[[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166382027
3-(2-benzamidoethylcarbamoylamino)-N-tert-butylbenzamide
CID 55820315
2-(cyclopentylamino)-N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]-1,3-dihydroindene-2-carboxamide
CID 166382007
3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31841528
1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 51135176

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide (CID 167922292) is 3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide is CN(Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccc(C(=O)NCc2cccs2)c1.
What is the InChIKey of 3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is UBDJMTHMXUPXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-25(2,18-29(3)17-19-9-5-4-6-10-19)28-24(31)27-21-12-7-11-20(15-21)23(30)26-16-22-13-8-14-32-22/h4-15H,16-18H2,1-3H3,(H,26,30)(H2,27,28,31).
What are the key properties of 3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide?
3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 450.61 g/mol, XLogP of 4.71, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 167922292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).