tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate

C18H21NO2S — CID 134962959

IUPACtert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC(/C=C/c1ccccc1)c1cccs1
InChIInChI=1S/C18H21NO2S/c1-18(2,3)21-17(20)19-15(16-10-7-13-22-16)12-11-14-8-5-4-6-9-14/h4-13,15H,1-3H3,(H,19,20)/b12-11+
InChIKeyPOUJPEWCNQXDDP-VAWYXSNFSA-N
MW315.44 g/mol
LogP5.03
Rot. Bonds4

About tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate

tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate (PubChem CID 134962959) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate
PubChem CID134962959
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Nametert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC(/C=C/c1ccccc1)c1cccs1
InChIInChI=1S/C18H21NO2S/c1-18(2,3)21-17(20)19-15(16-10-7-13-22-16)12-11-14-8-5-4-6-9-14/h4-13,15H,1-3H3,(H,19,20)/b12-11+
InChIKeyPOUJPEWCNQXDDP-VAWYXSNFSA-N
XLogP5.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
N-benzyl-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726750
2-[(4-methylbenzyl)thio]-N-(thien-2-ylmethyl)acetamide
CID 4229956
N-(1-phenylpropyl)-2-(2-thienyl)acetamide
CID 6470744
N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3792423
2-Thenylamine, N-(alpha-methylphenethyl)-, acetate, (+)-
CID 121570
Acetamide, N-(2-phenyl-1-(2-thienyl)ethyl)-
CID 3061995
1-Benzyl-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 42884530
N1-(4-fluorobenzyl)-N2-(1-(thiophen-2-yl)propan-2-yl)oxalamide
CID 45555213
Tert-butyl (1-(thiophen-2-ylmethyl)piperidin-3-yl)carbamate
CID 46785877

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate (CID 134962959) is tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate is CC(C)(C)OC(=O)NC(/C=C/c1ccccc1)c1cccs1.
What is the InChIKey of tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate?
The InChIKey is POUJPEWCNQXDDP-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-18(2,3)21-17(20)19-15(16-10-7-13-22-16)12-11-14-8-5-4-6-9-14/h4-13,15H,1-3H3,(H,19,20)/b12-11+.
What are the key properties of tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate?
tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate has a molecular weight of 315.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-phenyl-1-thiophen-2-ylprop-2-enyl]carbamate is sourced from PubChem (CID 134962959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).