2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C24H24ClN3OS — CID 67051692

IUPAC2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESC=Cc1c(C)cc(-c2nnc(N(CC3CC3)C(=O)Cc3ccccc3Cl)s2)cc1C
InChIInChI=1S/C24H24ClN3OS/c1-4-20-15(2)11-19(12-16(20)3)23-26-27-24(30-23)28(14-17-9-10-17)22(29)13-18-7-5-6-8-21(18)25/h4-8,11-12,17H,1,9-10,13-14H2,2-3H3
InChIKeyPQHKFNRAJDZZOW-UHFFFAOYSA-N
MW438.00 g/mol
LogP6.10
Rot. Bonds7

About 2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 67051692) has the molecular formula C24H24ClN3OS and a molecular weight of 438.00 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID67051692
Molecular FormulaC24H24ClN3OS
Molecular Weight438.00 g/mol
Exact Mass437.13
IUPAC Name2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESC=Cc1c(C)cc(-c2nnc(N(CC3CC3)C(=O)Cc3ccccc3Cl)s2)cc1C
InChIInChI=1S/C24H24ClN3OS/c1-4-20-15(2)11-19(12-16(20)3)23-26-27-24(30-23)28(14-17-9-10-17)22(29)13-18-7-5-6-8-21(18)25/h4-8,11-12,17H,1,9-10,13-14H2,2-3H3
InChIKeyPQHKFNRAJDZZOW-UHFFFAOYSA-N
XLogP6.10
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.00
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 67051692) is 2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is C=Cc1c(C)cc(-c2nnc(N(CC3CC3)C(=O)Cc3ccccc3Cl)s2)cc1C.
What is the InChIKey of 2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is PQHKFNRAJDZZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3OS/c1-4-20-15(2)11-19(12-16(20)3)23-26-27-24(30-23)28(14-17-9-10-17)22(29)13-18-7-5-6-8-21(18)25/h4-8,11-12,17H,1,9-10,13-14H2,2-3H3.
What are the key properties of 2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 438.00 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-[5-(4-ethenyl-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 67051692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).