tert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate

C19H26N2O3S — CID 67492643

IUPACtert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate
SMILESCCc1cc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c(C)nc1OC
InChIInChI=1S/C19H26N2O3S/c1-7-13-10-15(12(2)21-17(13)23-6)16-9-8-14(25-16)11-20-18(22)24-19(3,4)5/h8-10H,7,11H2,1-6H3,(H,20,22)
InChIKeyFUCUAOVYUXOYRI-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.71
Rot. Bonds5

About tert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate

tert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate (PubChem CID 67492643) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is tert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate
PubChem CID67492643
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Nametert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate
SMILESCCc1cc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c(C)nc1OC
InChIInChI=1S/C19H26N2O3S/c1-7-13-10-15(12(2)21-17(13)23-6)16-9-8-14(25-16)11-20-18(22)24-19(3,4)5/h8-10H,7,11H2,1-6H3,(H,20,22)
InChIKeyFUCUAOVYUXOYRI-UHFFFAOYSA-N
XLogP4.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 158874937
methyl 2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetate
CID 134180480
tert-butyl N-[[5-(aminomethyl)-6-methoxy-4-methyl-2-pyridinyl]methyl]carbamate
CID 67951653
2-hydroxy-2-[3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]phenyl]-2-phenylacetic acid
CID 134180604
tert-butyl N-[[5-(4-chloro-3-pyridinyl)thiophen-2-yl]methyl]carbamate;bis([5-(4-chloro-3-pyridinyl)thiophen-2-yl]methanamine);dichloromethane;ethoxyethane;hydrochloride
CID 159921352
tert-butyl N-[[5-(2-bromoacetyl)thiophen-2-yl]methyl]carbamate
CID 168951135
tert-butyl N-[[2,4,6-trimethoxy-3,5-bis[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 102224062
tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461
tert-butyl N-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate
CID 130115059
tert-butyl N-[2-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111884975
tert-butyl N-[(2-ethyl-4-ethylsulfanylphenyl)methyl]carbamate
CID 134320057

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate (CID 67492643) is tert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate is CCc1cc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c(C)nc1OC.
What is the InChIKey of tert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate?
The InChIKey is FUCUAOVYUXOYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-7-13-10-15(12(2)21-17(13)23-6)16-9-8-14(25-16)11-20-18(22)24-19(3,4)5/h8-10H,7,11H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate?
tert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate has a molecular weight of 362.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(5-ethyl-6-methoxy-2-methyl-3-pyridinyl)thiophen-2-yl]methyl]carbamate is sourced from PubChem (CID 67492643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).