2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide

C21H22ClN3O2S — CID 56547306

IUPAC2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
SMILESCc1nc(C(C)(C)NC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)no1
InChIInChI=1S/C21H22ClN3O2S/c1-14-23-20(25-27-14)21(2,3)24-18(26)13-28-19(15-7-5-4-6-8-15)16-9-11-17(22)12-10-16/h4-12,19H,13H2,1-3H3,(H,24,26)
InChIKeyZBNQTFQOGFRAPL-UHFFFAOYSA-N
MW415.95 g/mol
LogP4.91
Rot. Bonds7

About 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide (PubChem CID 56547306) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
PubChem CID56547306
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
SMILESCc1nc(C(C)(C)NC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)no1
InChIInChI=1S/C21H22ClN3O2S/c1-14-23-20(25-27-14)21(2,3)24-18(26)13-28-19(15-7-5-4-6-8-15)16-9-11-17(22)12-10-16/h4-12,19H,13H2,1-3H3,(H,24,26)
InChIKeyZBNQTFQOGFRAPL-UHFFFAOYSA-N
XLogP4.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119500116
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 47003851
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 51139553
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide
CID 112777252
2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 135680055
N-[3-[[2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]propyl]-2-methylpropanamide
CID 97077393
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 47003849
(2S)-2-[[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-ethylpropanamide
CID 8751991
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 55590170
2-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55502195

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide (CID 56547306) is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide is Cc1nc(C(C)(C)NC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide?
The InChIKey is ZBNQTFQOGFRAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c1-14-23-20(25-27-14)21(2,3)24-18(26)13-28-19(15-7-5-4-6-8-15)16-9-11-17(22)12-10-16/h4-12,19H,13H2,1-3H3,(H,24,26).
What are the key properties of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide?
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide has a molecular weight of 415.95 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 56547306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).