tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate

C23H24N2O3S — CID 43021913

IUPACtert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NC(c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C23H24N2O3S/c1-23(2,3)28-22(27)24-18-13-11-17(12-14-18)21(26)25-20(19-10-7-15-29-19)16-8-5-4-6-9-16/h4-15,20H,1-3H3,(H,24,27)(H,25,26)
InChIKeyADCMMVYXZILBDH-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.61
Rot. Bonds5

About tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate

tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate (PubChem CID 43021913) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate
PubChem CID43021913
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Nametert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NC(c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C23H24N2O3S/c1-23(2,3)28-22(27)24-18-13-11-17(12-14-18)21(26)25-20(19-10-7-15-29-19)16-8-5-4-6-9-16/h4-15,20H,1-3H3,(H,24,27)(H,25,26)
InChIKeyADCMMVYXZILBDH-UHFFFAOYSA-N
XLogP5.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate
CID 17467084
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853824
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-(carbamoylamino)benzamide
CID 46534391
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate
CID 27770407
3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820643
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-acetamidobenzoate
CID 9016060
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
tert-butyl N-[4-[1-(3-bromophenyl)ethylcarbamoyl]phenyl]carbamate
CID 55575237

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate (CID 43021913) is tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)NC(c2ccccc2)c2cccs2)cc1.
What is the InChIKey of tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate?
The InChIKey is ADCMMVYXZILBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-23(2,3)28-22(27)24-18-13-11-17(12-14-18)21(26)25-20(19-10-7-15-29-19)16-8-5-4-6-9-16/h4-15,20H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate has a molecular weight of 408.52 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 43021913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).