4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide

C19H17N3O2S — CID 6918878

IUPAC4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyABZSPJVXTTUFAA-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.21
Rot. Bonds4

About 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide

4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide (PubChem CID 6918878) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
PubChem CID6918878
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyABZSPJVXTTUFAA-UHFFFAOYSA-N
XLogP4.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.21
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

Verosudil
CID 66906051
N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
N-(4-isopropyl-2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)thiophene-2-carboxamide
CID 53377448
N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide
CID 25218555
N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide
CID 25218556
SARS-CoV-2 PLpro Inhibitor, 65
CID 156907310
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
Cambridge id 5272675
CID 1377411
N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylcarbonyl}benzamide
CID 25218560

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide?
The IUPAC name of 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide (CID 6918878) is 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide?
The canonical SMILES for 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide?
The InChIKey is ABZSPJVXTTUFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide?
4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide has a molecular weight of 351.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide is sourced from PubChem (CID 6918878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).