N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide

C22H22N2O2S — CID 46465115

IUPACN-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
SMILESCC(NC(=O)CCc1ccsc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H22N2O2S/c1-16(23-21(25)11-10-17-12-13-27-15-17)19-8-5-9-20(14-19)24-22(26)18-6-3-2-4-7-18/h2-9,12-16H,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyHRXWZQWXWNSLRH-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.81
Rot. Bonds7

About N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide

N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide (PubChem CID 46465115) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
PubChem CID46465115
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
SMILESCC(NC(=O)CCc1ccsc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H22N2O2S/c1-16(23-21(25)11-10-17-12-13-27-15-17)19-8-5-9-20(14-19)24-22(26)18-6-3-2-4-7-18/h2-9,12-16H,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyHRXWZQWXWNSLRH-UHFFFAOYSA-N
XLogP4.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide
CID 55693673
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55693558
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 42961602
benzyl N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]carbamate
CID 55837379
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519
N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
CID 46464874
N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
CID 46456437
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 46456768
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide (CID 46465115) is N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide is CC(NC(=O)CCc1ccsc1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide?
The InChIKey is HRXWZQWXWNSLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-16(23-21(25)11-10-17-12-13-27-15-17)19-8-5-9-20(14-19)24-22(26)18-6-3-2-4-7-18/h2-9,12-16H,10-11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide?
N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide has a molecular weight of 378.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 46465115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).