4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide

C23H25N3O3S — CID 46977822

IUPAC4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
SMILESCc1cccc(C2(C(=O)Nc3nnc(C(C)Oc4ccccc4)s3)CCOCC2)c1
InChIInChI=1S/C23H25N3O3S/c1-16-7-6-8-18(15-16)23(11-13-28-14-12-23)21(27)24-22-26-25-20(30-22)17(2)29-19-9-4-3-5-10-19/h3-10,15,17H,11-14H2,1-2H3,(H,24,26,27)
InChIKeySTMHPOCKHXPCJO-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.67
Rot. Bonds6

About 4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide

4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide (PubChem CID 46977822) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
PubChem CID46977822
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
SMILESCc1cccc(C2(C(=O)Nc3nnc(C(C)Oc4ccccc4)s3)CCOCC2)c1
InChIInChI=1S/C23H25N3O3S/c1-16-7-6-8-18(15-16)23(11-13-28-14-12-23)21(27)24-22-26-25-20(30-22)17(2)29-19-9-4-3-5-10-19/h3-10,15,17H,11-14H2,1-2H3,(H,24,26,27)
InChIKeySTMHPOCKHXPCJO-UHFFFAOYSA-N
XLogP4.67
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide with MolForge

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Related Compounds

methyl 2-[(2R)-butan-2-yl]oxy-5-[[4-(3-methylphenyl)oxane-4-carbonyl]amino]benzoate
CID 100748343
N-(6-methoxy-5-methyl-3-pyridinyl)-4-(3-methylphenyl)oxane-4-carboxamide
CID 100772258
5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 46975075
N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-4-(3-methylphenyl)oxane-4-carboxamide
CID 100681443
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-phenyloxane-4-carboxamide
CID 56829316
N-(4-butan-2-yloxyphenyl)-4-phenyloxane-4-carboxamide
CID 133187943
N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide
CID 94646439
N-(2-cyano-4-methoxyphenyl)-4-(3-methylphenyl)oxane-4-carboxamide
CID 100748457
(2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
CID 51592506
N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 60564426
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 55997181
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
CID 27455998

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide (CID 46977822) is 4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide is Cc1cccc(C2(C(=O)Nc3nnc(C(C)Oc4ccccc4)s3)CCOCC2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide?
The InChIKey is STMHPOCKHXPCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-16-7-6-8-18(15-16)23(11-13-28-14-12-23)21(27)24-22-26-25-20(30-22)17(2)29-19-9-4-3-5-10-19/h3-10,15,17H,11-14H2,1-2H3,(H,24,26,27).
What are the key properties of 4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide?
4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 46977822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).