N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide

C17H23N3OS — CID 112981528

IUPACN-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide
SMILESCN(C)CCCNc1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C17H23N3OS/c1-20(2)11-4-10-18-14-6-8-15(9-7-14)19-17(21)13-16-5-3-12-22-16/h3,5-9,12,18H,4,10-11,13H2,1-2H3,(H,19,21)
InChIKeyXABAAMKEAROCPZ-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.29
Rot. Bonds8

About N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide

N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 112981528) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide
PubChem CID112981528
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide
SMILESCN(C)CCCNc1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C17H23N3OS/c1-20(2)11-4-10-18-14-6-8-15(9-7-14)19-17(21)13-16-5-3-12-22-16/h3,5-9,12,18H,4,10-11,13H2,1-2H3,(H,19,21)
InChIKeyXABAAMKEAROCPZ-UHFFFAOYSA-N
XLogP3.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 8698592
2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
CID 3108904
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide
CID 112981287
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
CID 24632484
N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide
CID 112981805
N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113015222
N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide
CID 38019423
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide
CID 76938616
N-[4-(2-methoxyethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 47183041

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide (CID 112981528) is N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide is CN(C)CCCNc1ccc(NC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is XABAAMKEAROCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-20(2)11-4-10-18-14-6-8-15(9-7-14)19-17(21)13-16-5-3-12-22-16/h3,5-9,12,18H,4,10-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 317.46 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 112981528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).