methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate

C14H16ClNO3S — CID 71897211

IUPACmethyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N(C)Cc2ccc(Cl)s2)o1
InChIInChI=1S/C14H16ClNO3S/c1-9(11-5-6-12(19-11)14(17)18-3)16(2)8-10-4-7-13(15)20-10/h4-7,9H,8H2,1-3H3
InChIKeyTWRLNSUYMZVCJS-UHFFFAOYSA-N
MW313.81 g/mol
LogP3.97
Rot. Bonds5

About methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate

methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate (PubChem CID 71897211) has the molecular formula C14H16ClNO3S and a molecular weight of 313.81 g/mol. Its IUPAC name is methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate
PubChem CID71897211
Molecular FormulaC14H16ClNO3S
Molecular Weight313.81 g/mol
Exact Mass313.05
IUPAC Namemethyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N(C)Cc2ccc(Cl)s2)o1
InChIInChI=1S/C14H16ClNO3S/c1-9(11-5-6-12(19-11)14(17)18-3)16(2)8-10-4-7-13(15)20-10/h4-7,9H,8H2,1-3H3
InChIKeyTWRLNSUYMZVCJS-UHFFFAOYSA-N
XLogP3.97
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[1-[(2-bromophenyl)methyl-methylamino]ethyl]furan-2-carboxylate
CID 78974983
methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate
CID 79084264
methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate
CID 112726846
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethylphenyl)propan-1-one
CID 63565949
methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103722513
methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate
CID 79090257
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 17478899
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18093995
N-benzyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 51178868
methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate
CID 79091127
methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
CID 79084995
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate (CID 71897211) is methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)N(C)Cc2ccc(Cl)s2)o1.
What is the InChIKey of methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate?
The InChIKey is TWRLNSUYMZVCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S/c1-9(11-5-6-12(19-11)14(17)18-3)16(2)8-10-4-7-13(15)20-10/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate?
methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate has a molecular weight of 313.81 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 71897211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).