methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate

C14H15NO3S — CID 121134072

IUPACmethyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(C(O)c2ccccc2)s1
InChIInChI=1S/C14H15NO3S/c1-18-14(17)15-9-11-7-8-12(19-11)13(16)10-5-3-2-4-6-10/h2-8,13,16H,9H2,1H3,(H,15,17)
InChIKeyPJJQZIBVZZJJJP-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.69
Rot. Bonds4

About methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate

methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate (PubChem CID 121134072) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate
PubChem CID121134072
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Namemethyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(C(O)c2ccccc2)s1
InChIInChI=1S/C14H15NO3S/c1-18-14(17)15-9-11-7-8-12(19-11)13(16)10-5-3-2-4-6-10/h2-8,13,16H,9H2,1H3,(H,15,17)
InChIKeyPJJQZIBVZZJJJP-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-phenylbutanamide
CID 121134118
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzamide
CID 86264191
5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 121134157
N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide
CID 121134301
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 121134188
1-(3,5-dimethylphenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
CID 121134389
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121134172
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide
CID 121134132
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide
CID 121134090
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide
CID 121134099
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]ethanesulfonamide
CID 121134216
2-cyclopentyl-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide
CID 99882758

Frequently Asked Questions

What is the IUPAC name of methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate?
The IUPAC name of methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate (CID 121134072) is methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate is COC(=O)NCc1ccc(C(O)c2ccccc2)s1.
What is the InChIKey of methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate?
The InChIKey is PJJQZIBVZZJJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-18-14(17)15-9-11-7-8-12(19-11)13(16)10-5-3-2-4-6-10/h2-8,13,16H,9H2,1H3,(H,15,17).
What are the key properties of methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate?
methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate has a molecular weight of 277.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate is sourced from PubChem (CID 121134072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).