thiophen-3-ylmethyl N-phenylcarbamate

C12H11NO2S — CID 174477055

IUPACthiophen-3-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1ccsc1
InChIInChI=1S/C12H11NO2S/c14-12(13-11-4-2-1-3-5-11)15-8-10-6-7-16-9-10/h1-7,9H,8H2,(H,13,14)
InChIKeyQJVCCDCCSREACC-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.50
Rot. Bonds3

About thiophen-3-ylmethyl N-phenylcarbamate

thiophen-3-ylmethyl N-phenylcarbamate (PubChem CID 174477055) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is thiophen-3-ylmethyl N-phenylcarbamate.

Molecular Properties

Compound Namethiophen-3-ylmethyl N-phenylcarbamate
PubChem CID174477055
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Namethiophen-3-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1ccsc1
InChIInChI=1S/C12H11NO2S/c14-12(13-11-4-2-1-3-5-11)15-8-10-6-7-16-9-10/h1-7,9H,8H2,(H,13,14)
InChIKeyQJVCCDCCSREACC-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-(thiophen-3-ylmethylamino)acetamide
CID 47271664
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
1-phenyl-2-(2-thiophen-3-ylethyl)guanidine
CID 55063925
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
benzyl N-[(2S)-1-anilino-4-hydroxy-1-oxobutan-2-yl]carbamate
CID 126615842
molecular hydrogen;[4-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 161029288
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride
CID 76853740
3-methylbutyl N-phenylcarbamate
CID 69480810

Frequently Asked Questions

What is the IUPAC name of thiophen-3-ylmethyl N-phenylcarbamate?
The IUPAC name of thiophen-3-ylmethyl N-phenylcarbamate (CID 174477055) is thiophen-3-ylmethyl N-phenylcarbamate.
What is the SMILES notation for thiophen-3-ylmethyl N-phenylcarbamate?
The canonical SMILES for thiophen-3-ylmethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCc1ccsc1.
What is the InChIKey of thiophen-3-ylmethyl N-phenylcarbamate?
The InChIKey is QJVCCDCCSREACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-12(13-11-4-2-1-3-5-11)15-8-10-6-7-16-9-10/h1-7,9H,8H2,(H,13,14).
What are the key properties of thiophen-3-ylmethyl N-phenylcarbamate?
thiophen-3-ylmethyl N-phenylcarbamate has a molecular weight of 233.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-ylmethyl N-phenylcarbamate is sourced from PubChem (CID 174477055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).