tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate

C18H22N2O3S — CID 27770407

IUPACtert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2cccs2)cc1
InChIInChI=1S/C18H22N2O3S/c1-18(2,3)23-17(22)20-14-8-6-13(7-9-14)16(21)19-11-10-15-5-4-12-24-15/h4-9,12H,10-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyGRFUICFFDNMTAP-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.07
Rot. Bonds5

About tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate

tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate (PubChem CID 27770407) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate
PubChem CID27770407
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Nametert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2cccs2)cc1
InChIInChI=1S/C18H22N2O3S/c1-18(2,3)23-17(22)20-14-8-6-13(7-9-14)16(21)19-11-10-15-5-4-12-24-15/h4-9,12H,10-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyGRFUICFFDNMTAP-UHFFFAOYSA-N
XLogP4.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
CID 55736690
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate
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tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate
CID 9268246
N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17397396
tert-butyl N-[4-(2-methylsulfanylethylcarbamoyl)phenyl]carbamate
CID 60666349
tert-butyl N-[4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]phenyl]carbamate
CID 125130901
tert-butyl 2-oxo-2-(2-thiophen-2-ylethylamino)acetate
CID 115141760
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
methyl 6-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]hexanoate
CID 31840944
tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate
CID 27758271

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate (CID 27770407) is tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2cccs2)cc1.
What is the InChIKey of tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate?
The InChIKey is GRFUICFFDNMTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-18(2,3)23-17(22)20-14-8-6-13(7-9-14)16(21)19-11-10-15-5-4-12-24-15/h4-9,12H,10-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate?
tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate has a molecular weight of 346.45 g/mol, XLogP of 4.07, 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-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 27770407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).