[(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate

C14H15NO2S — CID 166949030

IUPAC[(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate
SMILESCc1ccccc1[C@@H](C)OC(=O)Nc1ccsc1
InChIInChI=1S/C14H15NO2S/c1-10-5-3-4-6-13(10)11(2)17-14(16)15-12-7-8-18-9-12/h3-9,11H,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyKGZGFIKREJWMLN-LLVKDONJSA-N
MW261.35 g/mol
LogP4.37
Rot. Bonds3

About [(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate

[(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate (PubChem CID 166949030) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is [(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate.

Molecular Properties

Compound Name[(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate
PubChem CID166949030
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name[(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate
SMILESCc1ccccc1[C@@H](C)OC(=O)Nc1ccsc1
InChIInChI=1S/C14H15NO2S/c1-10-5-3-4-6-13(10)11(2)17-14(16)15-12-7-8-18-9-12/h3-9,11H,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyKGZGFIKREJWMLN-LLVKDONJSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate 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

[(1S)-1-(2-methylphenyl)ethyl] acetate
CID 102370508
[(1R)-1-(2-methylphenyl)ethyl] acetate
CID 11062959
[(1R)-1-(2-methylphenyl)ethyl] N-[2-(4-nitrophenyl)thiophen-3-yl]carbamate
CID 169178672
tert-butyl N-thiophen-3-ylcarbamate
CID 736476
2-methyl-3-oxo-3-(thiophen-3-ylamino)propanoic acid
CID 114898720
methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657
2-[4-[4-[3-methyl-4-[[(1R)-1-(2-methylphenyl)ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
CID 46239000
N-[1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 43013699
(2R)-N-methyl-2-(2-methylphenyl)propanamide
CID 97305047
2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide
CID 66354382
4-(difluoromethyl)-N-thiophen-3-ylthiophene-3-carboxamide
CID 45087039
1-[2-[2-[4-[1-(2-methylphenyl)ethoxycarbonylamino]-1,2-thiazol-3-yl]ethynyl]-[1,3]oxazolo[5,4-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid
CID 71266089

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate?
The IUPAC name of [(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate (CID 166949030) is [(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate.
What is the SMILES notation for [(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate?
The canonical SMILES for [(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate is Cc1ccccc1[C@@H](C)OC(=O)Nc1ccsc1.
What is the InChIKey of [(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate?
The InChIKey is KGZGFIKREJWMLN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-5-3-4-6-13(10)11(2)17-14(16)15-12-7-8-18-9-12/h3-9,11H,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of [(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate?
[(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate has a molecular weight of 261.35 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-methylphenyl)ethyl] N-thiophen-3-ylcarbamate is sourced from PubChem (CID 166949030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).