N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide

C25H29N5O5S — CID 126740879

IUPACN,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(C(=O)NCc2noc(C(=O)N(C)C)n2)cc1
InChIInChI=1S/C25H29N5O5S/c1-17-9-14-21(19-7-5-4-6-8-19)36(33,34)30(17)16-18-10-12-20(13-11-18)23(31)26-15-22-27-24(35-28-22)25(32)29(2)3/h4-8,10-13,17,21H,9,14-16H2,1-3H3,(H,26,31)
InChIKeyCDBSDUSUWOXHEQ-UHFFFAOYSA-N
MW511.60 g/mol
LogP2.76
Rot. Bonds7

About N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide

N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 126740879) has the molecular formula C25H29N5O5S and a molecular weight of 511.60 g/mol. Its IUPAC name is N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID126740879
Molecular FormulaC25H29N5O5S
Molecular Weight511.60 g/mol
Exact Mass511.19
IUPAC NameN,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(C(=O)NCc2noc(C(=O)N(C)C)n2)cc1
InChIInChI=1S/C25H29N5O5S/c1-17-9-14-21(19-7-5-4-6-8-19)36(33,34)30(17)16-18-10-12-20(13-11-18)23(31)26-15-22-27-24(35-28-22)25(32)29(2)3/h4-8,10-13,17,21H,9,14-16H2,1-3H3,(H,26,31)
InChIKeyCDBSDUSUWOXHEQ-UHFFFAOYSA-N
XLogP2.76
TPSA125.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 126740852
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
1-[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]phenyl]-4-(1,2,4-triazol-4-yl)cyclohexane-1-carboxylic acid
CID 123692841
N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide
CID 123482551
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
N-benzyl-3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 50818937
4-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 4233230
N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 97226046
ethyl (3S)-1-[[3-(benzamidomethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxylate
CID 36545910
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 118779570
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 125168186

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 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) is N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is CC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(C(=O)NCc2noc(C(=O)N(C)C)n2)cc1.
What is the InChIKey of N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is CDBSDUSUWOXHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5S/c1-17-9-14-21(19-7-5-4-6-8-19)36(33,34)30(17)16-18-10-12-20(13-11-18)23(31)26-15-22-27-24(35-28-22)25(32)29(2)3/h4-8,10-13,17,21H,9,14-16H2,1-3H3,(H,26,31).
What are the key properties of N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 511.60 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[[4-[(3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl)methyl]benzoyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 126740879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).