N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide

C20H21N3O3S — CID 86625452

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide
SMILESCc1nsc(NC(=O)c2cc(OCc3ccccc3)ccc2OC(C)C)n1
InChIInChI=1S/C20H21N3O3S/c1-13(2)26-18-10-9-16(25-12-15-7-5-4-6-8-15)11-17(18)19(24)22-20-21-14(3)23-27-20/h4-11,13H,12H2,1-3H3,(H,21,22,23,24)
InChIKeyVSEHIZVXDFSWHL-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.47
Rot. Bonds7

About N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide

N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide (PubChem CID 86625452) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide
PubChem CID86625452
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide
SMILESCc1nsc(NC(=O)c2cc(OCc3ccccc3)ccc2OC(C)C)n1
InChIInChI=1S/C20H21N3O3S/c1-13(2)26-18-10-9-16(25-12-15-7-5-4-6-8-15)11-17(18)19(24)22-20-21-14(3)23-27-20/h4-11,13H,12H2,1-3H3,(H,21,22,23,24)
InChIKeyVSEHIZVXDFSWHL-UHFFFAOYSA-N
XLogP4.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
CID 141216527
N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045921
5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141216465
5-bromo-N-[(3-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17086253
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene
CID 50888763
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide
CID 114929424
1-(4-phenylmethoxyphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992099
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104874325
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141305036
5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide
CID 17351533

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide (CID 86625452) is N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide is Cc1nsc(NC(=O)c2cc(OCc3ccccc3)ccc2OC(C)C)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide?
The InChIKey is VSEHIZVXDFSWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13(2)26-18-10-9-16(25-12-15-7-5-4-6-8-15)11-17(18)19(24)22-20-21-14(3)23-27-20/h4-11,13H,12H2,1-3H3,(H,21,22,23,24).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide has a molecular weight of 383.47 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide is sourced from PubChem (CID 86625452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).