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

C25H27N3O2S — CID 25157370

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-[(cyclohexanecarbonylamino)methyl]benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C25H27N3O2S/c26-21-13-12-20(23-7-4-14-31-23)15-22(21)28-25(30)19-10-8-17(9-11-19)16-27-24(29)18-5-2-1-3-6-18/h4,7-15,18H,1-3,5-6,16,26H2,(H,27,29)(H,28,30)
InChIKeyPFMDDIUTOACPOG-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.45
Rot. Bonds6

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

N-(2-amino-5-thiophen-2-ylphenyl)-4-[(cyclohexanecarbonylamino)methyl]benzamide (PubChem CID 25157370) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-[(cyclohexanecarbonylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[(cyclohexanecarbonylamino)methyl]benzamide
PubChem CID25157370
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[(cyclohexanecarbonylamino)methyl]benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C25H27N3O2S/c26-21-13-12-20(23-7-4-14-31-23)15-22(21)28-25(30)19-10-8-17(9-11-19)16-27-24(29)18-5-2-1-3-6-18/h4,7-15,18H,1-3,5-6,16,26H2,(H,27,29)(H,28,30)
InChIKeyPFMDDIUTOACPOG-UHFFFAOYSA-N
XLogP5.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(cyclohexanecarbonylamino)methyl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[(cyclohexanecarbonylamino)methyl]benzamide (CID 25157370) is N-(2-amino-5-thiophen-2-ylphenyl)-4-[(cyclohexanecarbonylamino)methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-[(cyclohexanecarbonylamino)methyl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-[(cyclohexanecarbonylamino)methyl]benzamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-[(cyclohexanecarbonylamino)methyl]benzamide?
The InChIKey is PFMDDIUTOACPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c26-21-13-12-20(23-7-4-14-31-23)15-22(21)28-25(30)19-10-8-17(9-11-19)16-27-24(29)18-5-2-1-3-6-18/h4,7-15,18H,1-3,5-6,16,26H2,(H,27,29)(H,28,30).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-[(cyclohexanecarbonylamino)methyl]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(cyclohexanecarbonylamino)methyl]benzamide has a molecular weight of 433.58 g/mol, XLogP of 5.45, 6 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-[(cyclohexanecarbonylamino)methyl]benzamide is sourced from PubChem (CID 25157370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).