N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide

C25H29N3O2SSi — CID 58283991

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide
SMILESC[Si]1(C)CN[C@H](C(=O)CCc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)C1
InChIInChI=1S/C25H29N3O2SSi/c1-32(2)15-22(27-16-32)23(29)12-7-17-5-8-18(9-6-17)25(30)28-21-14-19(10-11-20(21)26)24-4-3-13-31-24/h3-6,8-11,13-14,22,27H,7,12,15-16,26H2,1-2H3,(H,28,30)/t22-/m0/s1
InChIKeyUVTKGYIAGNMTSL-QFIPXVFZSA-N
MW463.68 g/mol
LogP4.97
Rot. Bonds7

About N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide (PubChem CID 58283991) has the molecular formula C25H29N3O2SSi and a molecular weight of 463.68 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide
PubChem CID58283991
Molecular FormulaC25H29N3O2SSi
Molecular Weight463.68 g/mol
Exact Mass463.17
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide
SMILESC[Si]1(C)CN[C@H](C(=O)CCc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)C1
InChIInChI=1S/C25H29N3O2SSi/c1-32(2)15-22(27-16-32)23(29)12-7-17-5-8-18(9-6-17)25(30)28-21-14-19(10-11-20(21)26)24-4-3-13-31-24/h3-6,8-11,13-14,22,27H,7,12,15-16,26H2,1-2H3,(H,28,30)/t22-/m0/s1
InChIKeyUVTKGYIAGNMTSL-QFIPXVFZSA-N
XLogP4.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.68
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]methyl 3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]propanoate
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N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide
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N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
N-(2-amino-5-thiophen-2-ylphenyl)-4-[2-(4-methyl-2,5-dioxopiperazin-1-yl)ethyl]benzamide
CID 145031072
CID 88928326
CID 88928326
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide (CID 58283991) is N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide is C[Si]1(C)CN[C@H](C(=O)CCc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)C1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide?
The InChIKey is UVTKGYIAGNMTSL-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H29N3O2SSi/c1-32(2)15-22(27-16-32)23(29)12-7-17-5-8-18(9-6-17)25(30)28-21-14-19(10-11-20(21)26)24-4-3-13-31-24/h3-6,8-11,13-14,22,27H,7,12,15-16,26H2,1-2H3,(H,28,30)/t22-/m0/s1.
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide has a molecular weight of 463.68 g/mol, XLogP of 4.97, 7 rotatable bonds, 3 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-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 58283991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).