tert-butyl N-(3-thiophen-3-ylphenyl)carbamate

C15H17NO2S — CID 7176355

IUPACtert-butyl N-(3-thiophen-3-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccsc2)c1
InChIInChI=1S/C15H17NO2S/c1-15(2,3)18-14(17)16-13-6-4-5-11(9-13)12-7-8-19-10-12/h4-10H,1-3H3,(H,16,17)
InChIKeyRUOWCNTWJRAGIM-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.76
Rot. Bonds2

About tert-butyl N-(3-thiophen-3-ylphenyl)carbamate

tert-butyl N-(3-thiophen-3-ylphenyl)carbamate (PubChem CID 7176355) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is tert-butyl N-(3-thiophen-3-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-thiophen-3-ylphenyl)carbamate
PubChem CID7176355
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Nametert-butyl N-(3-thiophen-3-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccsc2)c1
InChIInChI=1S/C15H17NO2S/c1-15(2,3)18-14(17)16-13-6-4-5-11(9-13)12-7-8-19-10-12/h4-10H,1-3H3,(H,16,17)
InChIKeyRUOWCNTWJRAGIM-UHFFFAOYSA-N
XLogP4.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(3-thiophen-3-ylphenyl)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

tert-butyl N-thiophen-3-ylcarbamate
CID 736476
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486
tert-butyl 4-(3-thiophen-3-ylanilino)butanoate
CID 57155065
tert-butyl N-[3-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
CID 53219777
tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate
CID 59206790
tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate
CID 53219774
4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-thiophen-3-ylphenyl)butanoic acid
CID 146289128
tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate
CID 174948003
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021
dimethyl (E)-2-(3-thiophen-3-ylanilino)but-2-enedioate
CID 168570222
tert-butyl N-[3-[[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]thiophene-2-carbonyl]amino]phenyl]carbamate
CID 166780032

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-thiophen-3-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-thiophen-3-ylphenyl)carbamate (CID 7176355) is tert-butyl N-(3-thiophen-3-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-thiophen-3-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-thiophen-3-ylphenyl)carbamate is CC(C)(C)OC(=O)Nc1cccc(-c2ccsc2)c1.
What is the InChIKey of tert-butyl N-(3-thiophen-3-ylphenyl)carbamate?
The InChIKey is RUOWCNTWJRAGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-15(2,3)18-14(17)16-13-6-4-5-11(9-13)12-7-8-19-10-12/h4-10H,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(3-thiophen-3-ylphenyl)carbamate?
tert-butyl N-(3-thiophen-3-ylphenyl)carbamate has a molecular weight of 275.37 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-thiophen-3-ylphenyl)carbamate is sourced from PubChem (CID 7176355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).