N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

C19H18N4OS — CID 4844877

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESO=C(CN1CC=C(c2ccccc2)CC1)Nc1cccc2nsnc12
InChIInChI=1S/C19H18N4OS/c24-18(20-16-7-4-8-17-19(16)22-25-21-17)13-23-11-9-15(10-12-23)14-5-2-1-3-6-14/h1-9H,10-13H2,(H,20,24)
InChIKeyRBAICOWOQUFAGF-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.42
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (PubChem CID 4844877) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
PubChem CID4844877
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESO=C(CN1CC=C(c2ccccc2)CC1)Nc1cccc2nsnc12
InChIInChI=1S/C19H18N4OS/c24-18(20-16-7-4-8-17-19(16)22-25-21-17)13-23-11-9-15(10-12-23)14-5-2-1-3-6-14/h1-9H,10-13H2,(H,20,24)
InChIKeyRBAICOWOQUFAGF-UHFFFAOYSA-N
XLogP3.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282246
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8759408
2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 65249909
2-[4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 46809920
N-(2-bromophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125062
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylphenyl)acetamide
CID 18125013
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 42949652
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 17148996
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-quinolin-5-ylacetamide
CID 24682364
N-(2,5-dimethylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759411
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 9037402
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149004

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (CID 4844877) is N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is O=C(CN1CC=C(c2ccccc2)CC1)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The InChIKey is RBAICOWOQUFAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c24-18(20-16-7-4-8-17-19(16)22-25-21-17)13-23-11-9-15(10-12-23)14-5-2-1-3-6-14/h1-9H,10-13H2,(H,20,24).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide has a molecular weight of 350.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is sourced from PubChem (CID 4844877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).