N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide

C23H24N2O3S — CID 55782491

IUPACN-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2cccc(OCc3cccs3)c2)c1
InChIInChI=1S/C23H24N2O3S/c1-2-6-22(26)25-19-9-3-7-17(13-19)15-24-23(27)18-8-4-10-20(14-18)28-16-21-11-5-12-29-21/h3-5,7-14H,2,6,15-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyZEVFQSVEHLPXQP-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.00
Rot. Bonds9

About N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide

N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide (PubChem CID 55782491) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
PubChem CID55782491
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2cccc(OCc3cccs3)c2)c1
InChIInChI=1S/C23H24N2O3S/c1-2-6-22(26)25-19-9-3-7-17(13-19)15-24-23(27)18-8-4-10-20(14-18)28-16-21-11-5-12-29-21/h3-5,7-14H,2,6,15-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyZEVFQSVEHLPXQP-UHFFFAOYSA-N
XLogP5.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55804256
N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55843814
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55879396
N-[5-[[3-(butanoylamino)phenyl]methylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 60514903
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide
CID 38033802
N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 120651028
[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929114
N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55843556
N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide
CID 55674829
2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide
CID 60515223
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide
CID 55958832
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide?
The IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide (CID 55782491) is N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide?
The canonical SMILES for N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide is CCCC(=O)Nc1cccc(CNC(=O)c2cccc(OCc3cccs3)c2)c1.
What is the InChIKey of N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide?
The InChIKey is ZEVFQSVEHLPXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-2-6-22(26)25-19-9-3-7-17(13-19)15-24-23(27)18-8-4-10-20(14-18)28-16-21-11-5-12-29-21/h3-5,7-14H,2,6,15-16H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide?
N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide has a molecular weight of 408.52 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide is sourced from PubChem (CID 55782491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).