2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide

C24H19ClN4O2S — CID 55985453

IUPAC2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C24H19ClN4O2S/c25-20-9-5-4-8-19(20)24(31)27-21(16-6-2-1-3-7-16)14-23(30)26-18-12-10-17(11-13-18)22-15-32-29-28-22/h1-13,15,21H,14H2,(H,26,30)(H,27,31)
InChIKeyQUDIPXCTCGLTRV-UHFFFAOYSA-N
MW462.96 g/mol
LogP5.36
Rot. Bonds7

About 2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide

2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide (PubChem CID 55985453) has the molecular formula C24H19ClN4O2S and a molecular weight of 462.96 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide
PubChem CID55985453
Molecular FormulaC24H19ClN4O2S
Molecular Weight462.96 g/mol
Exact Mass462.09
IUPAC Name2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C24H19ClN4O2S/c25-20-9-5-4-8-19(20)24(31)27-21(16-6-2-1-3-7-16)14-23(30)26-18-12-10-17(11-13-18)22-15-32-29-28-22/h1-13,15,21H,14H2,(H,26,30)(H,27,31)
InChIKeyQUDIPXCTCGLTRV-UHFFFAOYSA-N
XLogP5.36
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.96
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4020241
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 56826995
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide
CID 2087143
[2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2519734
N-[(1R)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 2081100
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 55435292
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-[(4-phenyl-1,3-thiazol-5-yl)amino]propyl]benzamide
CID 52501029
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylamino)propyl]benzamide
CID 41157074
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide
CID 26249276
2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 112772284
N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 41251909

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide (CID 55985453) is 2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide is O=C(CC(NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of 2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide?
The InChIKey is QUDIPXCTCGLTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2S/c25-20-9-5-4-8-19(20)24(31)27-21(16-6-2-1-3-7-16)14-23(30)26-18-12-10-17(11-13-18)22-15-32-29-28-22/h1-13,15,21H,14H2,(H,26,30)(H,27,31).
What are the key properties of 2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide?
2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide has a molecular weight of 462.96 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-1-phenyl-3-[4-(thiadiazol-4-yl)anilino]propyl]benzamide is sourced from PubChem (CID 55985453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).