4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C24H28N4O3S — CID 126740852

IUPAC4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(C(=O)NCc2ccnn2C)cc1
InChIInChI=1S/C24H28N4O3S/c1-18-8-13-23(20-6-4-3-5-7-20)32(30,31)28(18)17-19-9-11-21(12-10-19)24(29)25-16-22-14-15-26-27(22)2/h3-7,9-12,14-15,18,23H,8,13,16-17H2,1-2H3,(H,25,29)
InChIKeyQKUARIQIRDWQFW-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.41
Rot. Bonds6

About 4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide

4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 126740852) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID126740852
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(C(=O)NCc2ccnn2C)cc1
InChIInChI=1S/C24H28N4O3S/c1-18-8-13-23(20-6-4-3-5-7-20)32(30,31)28(18)17-19-9-11-21(12-10-19)24(29)25-16-22-14-15-26-27(22)2/h3-7,9-12,14-15,18,23H,8,13,16-17H2,1-2H3,(H,25,29)
InChIKeyQKUARIQIRDWQFW-UHFFFAOYSA-N
XLogP3.41
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 126740879
N-(5-cyano-1H-imidazol-4-yl)-4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzamide
CID 126740850
1-[4-[[(3S)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-3-(oxan-4-yl)propan-1-one
CID 146979549
4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 31974410
4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292553
3,4,5-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55167887
1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide
CID 86979094
4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63303718
4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 82794631
(1S,6R)-6-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 26871279
3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304139
3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 103826536

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 126740852) is 4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide is CC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(C(=O)NCc2ccnn2C)cc1.
What is the InChIKey of 4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is QKUARIQIRDWQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-18-8-13-23(20-6-4-3-5-7-20)32(30,31)28(18)17-19-9-11-21(12-10-19)24(29)25-16-22-14-15-26-27(22)2/h3-7,9-12,14-15,18,23H,8,13,16-17H2,1-2H3,(H,25,29).
What are the key properties of 4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 126740852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).