N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine

C22H25NOS — CID 12008414

IUPACN,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine
SMILESCCN(CC)c1c(-c2ccccc2)sc(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C22H25NOS/c1-5-23(6-2)20-16(3)21(18-12-14-19(24-4)15-13-18)25-22(20)17-10-8-7-9-11-17/h7-15H,5-6H2,1-4H3
InChIKeyNXLJMCBGXKKOLF-UHFFFAOYSA-N
MW351.52 g/mol
LogP6.25
Rot. Bonds6

About N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine

N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine (PubChem CID 12008414) has the molecular formula C22H25NOS and a molecular weight of 351.52 g/mol. Its IUPAC name is N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine
PubChem CID12008414
Molecular FormulaC22H25NOS
Molecular Weight351.52 g/mol
Exact Mass351.17
IUPAC NameN,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine
SMILESCCN(CC)c1c(-c2ccccc2)sc(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C22H25NOS/c1-5-23(6-2)20-16(3)21(18-12-14-19(24-4)15-13-18)25-22(20)17-10-8-7-9-11-17/h7-15H,5-6H2,1-4H3
InChIKeyNXLJMCBGXKKOLF-UHFFFAOYSA-N
XLogP6.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.52
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine?
The IUPAC name of N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine (CID 12008414) is N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine.
What is the SMILES notation for N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine?
The canonical SMILES for N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine is CCN(CC)c1c(-c2ccccc2)sc(-c2ccc(OC)cc2)c1C.
What is the InChIKey of N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine?
The InChIKey is NXLJMCBGXKKOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NOS/c1-5-23(6-2)20-16(3)21(18-12-14-19(24-4)15-13-18)25-22(20)17-10-8-7-9-11-17/h7-15H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine?
N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine has a molecular weight of 351.52 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine is sourced from PubChem (CID 12008414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).