N-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide

C19H18N4O2S — CID 24753671

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide
SMILESNC(=O)C(N)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C19H18N4O2S/c20-14-8-7-13(16-2-1-9-26-16)10-15(14)23-19(25)12-5-3-11(4-6-12)17(21)18(22)24/h1-10,17H,20-21H2,(H2,22,24)(H,23,25)
InChIKeyLQRQDIIPLDMQEU-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.73
Rot. Bonds5

About N-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide (PubChem CID 24753671) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide
PubChem CID24753671
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide
SMILESNC(=O)C(N)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C19H18N4O2S/c20-14-8-7-13(16-2-1-9-26-16)10-15(14)23-19(25)12-5-3-11(4-6-12)17(21)18(22)24/h1-10,17H,20-21H2,(H2,22,24)(H,23,25)
InChIKeyLQRQDIIPLDMQEU-UHFFFAOYSA-N
XLogP2.73
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide (CID 24753671) is N-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide is NC(=O)C(N)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide?
The InChIKey is LQRQDIIPLDMQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c20-14-8-7-13(16-2-1-9-26-16)10-15(14)23-19(25)12-5-3-11(4-6-12)17(21)18(22)24/h1-10,17H,20-21H2,(H2,22,24)(H,23,25).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide has a molecular weight of 366.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-(1,2-diamino-2-oxoethyl)benzamide is sourced from PubChem (CID 24753671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).