2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide

C24H18Cl2N4O2S — CID 93099916

IUPAC2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H18Cl2N4O2S/c25-17-11-12-18(19(26)14-17)21(31)27-20(13-15-7-3-1-4-8-15)22(32)28-24-30-29-23(33-24)16-9-5-2-6-10-16/h1-12,14,20H,13H2,(H,27,31)(H,28,30,32)/t20-/m0/s1
InChIKeyDCJVZTGQPPHZAK-FQEVSTJZSA-N
MW497.41 g/mol
LogP5.49
Rot. Bonds7

About 2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide

2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide (PubChem CID 93099916) has the molecular formula C24H18Cl2N4O2S and a molecular weight of 497.41 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide
PubChem CID93099916
Molecular FormulaC24H18Cl2N4O2S
Molecular Weight497.41 g/mol
Exact Mass496.05
IUPAC Name2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H18Cl2N4O2S/c25-17-11-12-18(19(26)14-17)21(31)27-20(13-15-7-3-1-4-8-15)22(32)28-24-30-29-23(33-24)16-9-5-2-6-10-16/h1-12,14,20H,13H2,(H,27,31)(H,28,30,32)/t20-/m0/s1
InChIKeyDCJVZTGQPPHZAK-FQEVSTJZSA-N
XLogP5.49
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.41
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42662257
N-[(2S)-1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dimethoxybenzamide
CID 92952715
N-[1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dimethoxybenzamide
CID 3504133
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 42662158
N-[(2R)-1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 98377685
3-chloro-N-[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42663226
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(dimethylcarbamoylamino)-3-phenylpropanamide
CID 42662179
N-[1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 42757519
N-[(2R)-1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzamide
CID 93099979
N-[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-(trifluoromethyl)benzamide
CID 3631774
(2R)-2-[(4-bromophenyl)carbamoylamino]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 98430112
(2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide
CID 93100701

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide (CID 93099916) is 2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide is O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide?
The InChIKey is DCJVZTGQPPHZAK-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H18Cl2N4O2S/c25-17-11-12-18(19(26)14-17)21(31)27-20(13-15-7-3-1-4-8-15)22(32)28-24-30-29-23(33-24)16-9-5-2-6-10-16/h1-12,14,20H,13H2,(H,27,31)(H,28,30,32)/t20-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide?
2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide has a molecular weight of 497.41 g/mol, XLogP of 5.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide is sourced from PubChem (CID 93099916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).