(2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide

C26H24ClN5O2S — CID 93100701

About (2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide

(2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide (PubChem CID 93100701) has the molecular formula C26H24ClN5O2S and a molecular weight of 506.03 g/mol. Its IUPAC name is (2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide.

Molecular Properties

• Compound Name: (2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide
• PubChem CID: 93100701
• Molecular Formula: C26H24ClN5O2S
• Molecular Weight: 506.03 g/mol
• Exact Mass: 505.13
• IUPAC Name: (2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide
• SMILES: CCc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1
• InChI: InChI=1S/C26H24ClN5O2S/c1-2-18-11-6-7-14-21(18)28-25(34)29-22(15-17-9-4-3-5-10-17)23(33)30-26-32-31-24(35-26)19-12-8-13-20(27)16-19/h3-14,16,22H,2,15H2,1H3,(H2,28,29,34)(H,30,32,33)/t22-/m1/s1
• InChIKey: KABNNZQLLDQAMU-JOCHJYFZSA-N
• XLogP: 5.79
• TPSA: 96.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.03
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide?

The IUPAC name of (2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide (CID 93100701) is (2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide.

What is the SMILES notation for (2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide?

The canonical SMILES for (2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide is CCc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1.

What is the InChIKey of (2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide?

The InChIKey is KABNNZQLLDQAMU-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H24ClN5O2S/c1-2-18-11-6-7-14-21(18)28-25(34)29-22(15-17-9-4-3-5-10-17)23(33)30-26-32-31-24(35-26)19-12-8-13-20(27)16-19/h3-14,16,22H,2,15H2,1H3,(H2,28,29,34)(H,30,32,33)/t22-/m1/s1.

What are the key properties of (2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide?

(2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide has a molecular weight of 506.03 g/mol, XLogP of 5.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 93100701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).