N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline

C17H16ClNOS — CID 43765153

IUPACN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline
SMILESCCc1cccc(NC(c2ccco2)c2ccc(Cl)s2)c1
InChIInChI=1S/C17H16ClNOS/c1-2-12-5-3-6-13(11-12)19-17(14-7-4-10-20-14)15-8-9-16(18)21-15/h3-11,17,19H,2H2,1H3
InChIKeyGQCYZWXNVIOBBB-UHFFFAOYSA-N
MW317.84 g/mol
LogP5.76
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline (PubChem CID 43765153) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline
PubChem CID43765153
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline
SMILESCCc1cccc(NC(c2ccco2)c2ccc(Cl)s2)c1
InChIInChI=1S/C17H16ClNOS/c1-2-12-5-3-6-13(11-12)19-17(14-7-4-10-20-14)15-8-9-16(18)21-15/h3-11,17,19H,2H2,1H3
InChIKeyGQCYZWXNVIOBBB-UHFFFAOYSA-N
XLogP5.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.84
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline (CID 43765153) is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline is CCc1cccc(NC(c2ccco2)c2ccc(Cl)s2)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline?
The InChIKey is GQCYZWXNVIOBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-2-12-5-3-6-13(11-12)19-17(14-7-4-10-20-14)15-8-9-16(18)21-15/h3-11,17,19H,2H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline?
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline has a molecular weight of 317.84 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline is sourced from PubChem (CID 43765153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).