ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate

C15H18N2O2S — CID 43703806

IUPACethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(C)s2)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-19-15(18)17-13-7-5-12(6-8-13)16-10-14-9-4-11(2)20-14/h4-9,16H,3,10H2,1-2H3,(H,17,18)
InChIKeyNBJVODYXCXOLKJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.24
Rot. Bonds5

About ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate

ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate (PubChem CID 43703806) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
PubChem CID43703806
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(C)s2)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-19-15(18)17-13-7-5-12(6-8-13)16-10-14-9-4-11(2)20-14/h4-9,16H,3,10H2,1-2H3,(H,17,18)
InChIKeyNBJVODYXCXOLKJ-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 43703912
tert-butyl N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 107240037
3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide
CID 43676520
ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
CID 43703857
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 18778448
ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate
CID 61169060
tert-butyl N-[4-fluoro-3-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 107241037
ethyl N-[4-(2,2-dimethoxyethylamino)phenyl]carbamate
CID 63695809
ethyl N-[4-(pyrazin-2-ylmethylamino)phenyl]carbamate
CID 62762350
N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 62057971
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate (CID 43703806) is ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(C)s2)cc1.
What is the InChIKey of ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate?
The InChIKey is NBJVODYXCXOLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-19-15(18)17-13-7-5-12(6-8-13)16-10-14-9-4-11(2)20-14/h4-9,16H,3,10H2,1-2H3,(H,17,18).
What are the key properties of ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate?
ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate has a molecular weight of 290.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 43703806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).