4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

C14H15ClN4O4S — CID 3974438

IUPAC4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOCc1nnc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)s1
InChIInChI=1S/C14H15ClN4O4S/c1-7(20)16-10-5-11(23-3)8(4-9(10)15)13(21)17-14-19-18-12(24-14)6-22-2/h4-5H,6H2,1-3H3,(H,16,20)(H,17,19,21)
InChIKeyLWCDGACJNKTCNF-UHFFFAOYSA-N
MW370.82 g/mol
LogP2.56
Rot. Bonds6

About 4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 3974438) has the molecular formula C14H15ClN4O4S and a molecular weight of 370.82 g/mol. Its IUPAC name is 4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID3974438
Molecular FormulaC14H15ClN4O4S
Molecular Weight370.82 g/mol
Exact Mass370.05
IUPAC Name4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOCc1nnc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)s1
InChIInChI=1S/C14H15ClN4O4S/c1-7(20)16-10-5-11(23-3)8(4-9(10)15)13(21)17-14-19-18-12(24-14)6-22-2/h4-5H,6H2,1-3H3,(H,16,20)(H,17,19,21)
InChIKeyLWCDGACJNKTCNF-UHFFFAOYSA-N
XLogP2.56
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-acetamido-5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 4014438
4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 6490620
4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17257164
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224449
methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
CID 2988921
4-acetamido-5-chloro-N-(2,3-dichlorophenyl)-2-methoxybenzamide
CID 17257142
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide
CID 17257138
2,4,5-trimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8933648
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 84561012

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 3974438) is 4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide is COCc1nnc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)s1.
What is the InChIKey of 4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is LWCDGACJNKTCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4S/c1-7(20)16-10-5-11(23-3)8(4-9(10)15)13(21)17-14-19-18-12(24-14)6-22-2/h4-5H,6H2,1-3H3,(H,16,20)(H,17,19,21).
What are the key properties of 4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 370.82 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 3974438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).