Methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate

Name: Methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₀N₂O₃S — CID 139810963

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate

SMILESCOC(=O)Nc1ccc(OCc2cccnc2Sc2ccccc2)cc1C

InChIInChI=1S/C21H20N2O3S/c1-15-13-17(10-11-19(15)23-21(24)25-2)26-14-16-7-6-12-22-20(16)27-18-8-4-3-5-9-18/h3-13H,14H2,1-2H3,(H,23,24)

InChIKeyFTWIYTQAJWAMOE-UHFFFAOYSA-N

MW380.47 g/mol

LogP5.30

Rot. Bonds6

About Methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate

Methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate (PubChem CID 139810963) has the molecular formula C₂₁H₂₀N₂O₃S and a molecular weight of 380.47 g/mol. Its IUPAC name is methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Name	Methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate
PubChem CID	139810963
Molecular Formula	C₂₁H₂₀N₂O₃S
Molecular Weight	380.47 g/mol
Exact Mass	380.12
IUPAC Name	methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate
SMILES	COC(=O)Nc1ccc(OCc2cccnc2Sc2ccccc2)cc1C
InChI	InChI=1S/C21H20N2O3S/c1-15-13-17(10-11-19(15)23-21(24)25-2)26-14-16-7-6-12-22-20(16)27-18-8-4-3-5-9-18/h3-13H,14H2,1-2H3,(H,23,24)
InChIKey	FTWIYTQAJWAMOE-UHFFFAOYSA-N
XLogP	5.30
TPSA	60.45 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate?

The IUPAC name of Methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate (CID 139810963) is methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate.

What is the SMILES notation for Methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate?

The canonical SMILES for Methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCc2cccnc2Sc2ccccc2)cc1C.

What is the InChIKey of Methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate?

The InChIKey is FTWIYTQAJWAMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-15-13-17(10-11-19(15)23-21(24)25-2)26-14-16-7-6-12-22-20(16)27-18-8-4-3-5-9-18/h3-13H,14H2,1-2H3,(H,23,24).

What are the key properties of Methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate?

Methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate has a molecular weight of 380.47 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate is sourced from PubChem (CID 139810963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139810963 — identifiers, structure, computed properties (public domain)

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