N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide

C18H24N2O2S — CID 4875784

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C18H24N2O2S/c1-4-11-22-15-9-7-14(8-10-15)18(21)19-13-16(20(2)3)17-6-5-12-23-17/h5-10,12,16H,4,11,13H2,1-3H3,(H,19,21)
InChIKeyBXRXUOSHAUSXRT-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.57
Rot. Bonds8

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide (PubChem CID 4875784) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide
PubChem CID4875784
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C18H24N2O2S/c1-4-11-22-15-9-7-14(8-10-15)18(21)19-13-16(20(2)3)17-6-5-12-23-17/h5-10,12,16H,4,11,13H2,1-3H3,(H,19,21)
InChIKeyBXRXUOSHAUSXRT-UHFFFAOYSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide (CID 4875784) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide?
The InChIKey is BXRXUOSHAUSXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-4-11-22-15-9-7-14(8-10-15)18(21)19-13-16(20(2)3)17-6-5-12-23-17/h5-10,12,16H,4,11,13H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide has a molecular weight of 332.47 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propoxybenzamide is sourced from PubChem (CID 4875784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).