3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide

C28H19Cl2N5O4S — CID 135431707

IUPAC3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1)Nc1nnc(-c2cc(Cl)cc(Cl)c2O)s1
InChIInChI=1S/C28H19Cl2N5O4S/c29-17-14-22(24(36)23(30)15-17)26-34-35-28(40-26)33-27(38)32-19-6-4-5-16(13-19)25(37)31-18-9-11-21(12-10-18)39-20-7-2-1-3-8-20/h1-15,36H,(H,31,37)(H2,32,33,35,38)
InChIKeyVIIDSRBDBJGLGQ-UHFFFAOYSA-N
MW592.46 g/mol
LogP7.91
Rot. Bonds7

About 3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide

3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide (PubChem CID 135431707) has the molecular formula C28H19Cl2N5O4S and a molecular weight of 592.46 g/mol. Its IUPAC name is 3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide
PubChem CID135431707
Molecular FormulaC28H19Cl2N5O4S
Molecular Weight592.46 g/mol
Exact Mass591.05
IUPAC Name3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1)Nc1nnc(-c2cc(Cl)cc(Cl)c2O)s1
InChIInChI=1S/C28H19Cl2N5O4S/c29-17-14-22(24(36)23(30)15-17)26-34-35-28(40-26)33-27(38)32-19-6-4-5-16(13-19)25(37)31-18-9-11-21(12-10-18)39-20-7-2-1-3-8-20/h1-15,36H,(H,31,37)(H2,32,33,35,38)
InChIKeyVIIDSRBDBJGLGQ-UHFFFAOYSA-N
XLogP7.91
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.46
LogP ≤ 57.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-3-[4-(pyridine-4-carbonyl)phenyl]urea
CID 135540547
3,4-dichloro-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 135491768
1-N-(2-benzoyl-4-chlorophenyl)-4-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]benzene-1,4-dicarboxamide
CID 135461118
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
4-N-[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-[4-(triazol-2-yl)phenyl]benzene-1,4-dicarboxamide
CID 135510041
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
2-[[4-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 135428050
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
ethyl 2-[3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-9-oxoacridin-10-yl]acetate
CID 135514501
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 10971378

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide (CID 135431707) is 3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide is O=C(Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1)Nc1nnc(-c2cc(Cl)cc(Cl)c2O)s1.
What is the InChIKey of 3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide?
The InChIKey is VIIDSRBDBJGLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19Cl2N5O4S/c29-17-14-22(24(36)23(30)15-17)26-34-35-28(40-26)33-27(38)32-19-6-4-5-16(13-19)25(37)31-18-9-11-21(12-10-18)39-20-7-2-1-3-8-20/h1-15,36H,(H,31,37)(H2,32,33,35,38).
What are the key properties of 3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide?
3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide has a molecular weight of 592.46 g/mol, XLogP of 7.91, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3,5-dichloro-2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 135431707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).