methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate

C15H17NO4S — CID 139811024

IUPACmethyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2cscc2OC)cc1C
InChIInChI=1S/C15H17NO4S/c1-10-6-12(4-5-13(10)16-15(17)19-3)20-7-11-8-21-9-14(11)18-2/h4-6,8-9H,7H2,1-3H3,(H,16,17)
InChIKeyCNEYJGXIFRUWDE-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.82
Rot. Bonds5

About methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate

methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate (PubChem CID 139811024) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate
PubChem CID139811024
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Namemethyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2cscc2OC)cc1C
InChIInChI=1S/C15H17NO4S/c1-10-6-12(4-5-13(10)16-15(17)19-3)20-7-11-8-21-9-14(11)18-2/h4-6,8-9H,7H2,1-3H3,(H,16,17)
InChIKeyCNEYJGXIFRUWDE-UHFFFAOYSA-N
XLogP3.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate
CID 139811023
methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate
CID 139811034
methyl N-[4-[(5-ethyl-2-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139810973
methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate
CID 139810963
methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139811030
methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate
CID 139811068
methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139811113
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231676
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962
propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
CID 116655687
methyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate
CID 60813432
N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide
CID 18932064

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate?
The IUPAC name of methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate (CID 139811024) is methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate?
The canonical SMILES for methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate is COC(=O)Nc1ccc(OCc2cscc2OC)cc1C.
What is the InChIKey of methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate?
The InChIKey is CNEYJGXIFRUWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-10-6-12(4-5-13(10)16-15(17)19-3)20-7-11-8-21-9-14(11)18-2/h4-6,8-9H,7H2,1-3H3,(H,16,17).
What are the key properties of methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate?
methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate has a molecular weight of 307.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate is sourced from PubChem (CID 139811024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).