N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

C18H25N3OS — CID 4796551

IUPACN-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(C)Cc2cccs2)cc1
InChIInChI=1S/C18H25N3OS/c1-4-21(5-2)16-10-8-15(9-11-16)19-18(22)14-20(3)13-17-7-6-12-23-17/h6-12H,4-5,13-14H2,1-3H3,(H,19,22)
InChIKeyYBWLUKJHNZSUQR-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.66
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide

N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 4796551) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID4796551
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC NameN-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(C)Cc2cccs2)cc1
InChIInChI=1S/C18H25N3OS/c1-4-21(5-2)16-10-8-15(9-11-16)19-18(22)14-20(3)13-17-7-6-12-23-17/h6-12H,4-5,13-14H2,1-3H3,(H,19,22)
InChIKeyYBWLUKJHNZSUQR-UHFFFAOYSA-N
XLogP3.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (CID 4796551) is N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is CCN(CC)c1ccc(NC(=O)CN(C)Cc2cccs2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is YBWLUKJHNZSUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-4-21(5-2)16-10-8-15(9-11-16)19-18(22)14-20(3)13-17-7-6-12-23-17/h6-12H,4-5,13-14H2,1-3H3,(H,19,22).
What are the key properties of N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 331.49 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 4796551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).