methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate

C19H19NO3S — CID 139811068

IUPACmethyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2sc3ccccc3c2C)cc1C
InChIInChI=1S/C19H19NO3S/c1-12-10-14(8-9-16(12)20-19(21)22-3)23-11-18-13(2)15-6-4-5-7-17(15)24-18/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyNWXWINRUTCQHRF-UHFFFAOYSA-N
MW341.43 g/mol
LogP5.28
Rot. Bonds4

About methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate

methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate (PubChem CID 139811068) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate
PubChem CID139811068
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Namemethyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2sc3ccccc3c2C)cc1C
InChIInChI=1S/C19H19NO3S/c1-12-10-14(8-9-16(12)20-19(21)22-3)23-11-18-13(2)15-6-4-5-7-17(15)24-18/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyNWXWINRUTCQHRF-UHFFFAOYSA-N
XLogP5.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate
CID 139811023
methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate
CID 139811024
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-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139811113
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-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate
CID 18932215
methyl N-[2-methyl-4-[[3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazol-5-yl]methoxy]phenyl]carbamate
CID 139810981
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-methoxy-2-methylaniline
CID 63476356
1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3-chlorophenyl)urea
CID 980457
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate?
The IUPAC name of methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate (CID 139811068) is methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCc2sc3ccccc3c2C)cc1C.
What is the InChIKey of methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate?
The InChIKey is NWXWINRUTCQHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-12-10-14(8-9-16(12)20-19(21)22-3)23-11-18-13(2)15-6-4-5-7-17(15)24-18/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate?
methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate has a molecular weight of 341.43 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate is sourced from PubChem (CID 139811068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).