N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide

C23H24N2O3S — CID 86898714

IUPACN-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1
InChIInChI=1S/C23H24N2O3S/c1-25(2)14-6-15-28-18-12-10-17(11-13-18)24-23(27)20-8-4-3-7-19(20)22(26)21-9-5-16-29-21/h3-5,7-13,16H,6,14-15H2,1-2H3,(H,24,27)
InChIKeyWHZTWDPEICFOAF-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.56
Rot. Bonds9

About N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide

N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide (PubChem CID 86898714) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide
PubChem CID86898714
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1
InChIInChI=1S/C23H24N2O3S/c1-25(2)14-6-15-28-18-12-10-17(11-13-18)24-23(27)20-8-4-3-7-19(20)22(26)21-9-5-16-29-21/h3-5,7-13,16H,6,14-15H2,1-2H3,(H,24,27)
InChIKeyWHZTWDPEICFOAF-UHFFFAOYSA-N
XLogP4.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-[3-(dimethylamino)propoxy]phenyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 86898727
N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide
CID 37345483
N-[2-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35706356
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(thiophene-2-carbonyl)benzamide
CID 55531865
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide
CID 112981287
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
CID 86898199
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
but-2-enedioic acid;[2-[4-[6-(dimethylamino)hexoxy]phenyl]sulfanyl-3-pyridinyl]-thiophen-2-ylmethanone
CID 70088333
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide
CID 60793021
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 86898687
N-[2-(3-methylphenoxy)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9489216
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
CID 111116241

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide (CID 86898714) is N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide is CN(C)CCCOc1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is WHZTWDPEICFOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-25(2)14-6-15-28-18-12-10-17(11-13-18)24-23(27)20-8-4-3-7-19(20)22(26)21-9-5-16-29-21/h3-5,7-13,16H,6,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide?
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 86898714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).