N-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide

C22H23N3O2S — CID 25157072

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide
SMILESCCCC(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C22H23N3O2S/c1-2-4-21(26)24-14-15-6-8-16(9-7-15)22(27)25-19-13-17(10-11-18(19)23)20-5-3-12-28-20/h3,5-13H,2,4,14,23H2,1H3,(H,24,26)(H,25,27)
InChIKeyOPGJYOJXMZIXKB-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.67
Rot. Bonds7

About N-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide (PubChem CID 25157072) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide
PubChem CID25157072
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide
SMILESCCCC(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C22H23N3O2S/c1-2-4-21(26)24-14-15-6-8-16(9-7-15)22(27)25-19-13-17(10-11-18(19)23)20-5-3-12-28-20/h3,5-13H,2,4,14,23H2,1H3,(H,24,26)(H,25,27)
InChIKeyOPGJYOJXMZIXKB-UHFFFAOYSA-N
XLogP4.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 16661454
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CID 25218555
N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide
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CID 156907310
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CID 156907317
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
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CID 9074003
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155512662

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide (CID 25157072) is N-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide is CCCC(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide?
The InChIKey is OPGJYOJXMZIXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-2-4-21(26)24-14-15-6-8-16(9-7-15)22(27)25-19-13-17(10-11-18(19)23)20-5-3-12-28-20/h3,5-13H,2,4,14,23H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide has a molecular weight of 393.51 g/mol, XLogP of 4.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-[(butanoylamino)methyl]benzamide is sourced from PubChem (CID 25157072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).