N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide

C26H32N4O4S — CID 123482551

IUPACN-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide
SMILESCC1CCC(NCCCc2ccccc2)S(=O)(=O)N1Cc1ccc(C(=O)N(C)c2ncco2)cc1
InChIInChI=1S/C26H32N4O4S/c1-20-10-15-24(27-16-6-9-21-7-4-3-5-8-21)35(32,33)30(20)19-22-11-13-23(14-12-22)25(31)29(2)26-28-17-18-34-26/h3-5,7-8,11-14,17-18,20,24,27H,6,9-10,15-16,19H2,1-2H3
InChIKeyICPCMPCSSWPZOR-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.81
Rot. Bonds9

About N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide

N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide (PubChem CID 123482551) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound NameN-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide
PubChem CID123482551
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC NameN-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide
SMILESCC1CCC(NCCCc2ccccc2)S(=O)(=O)N1Cc1ccc(C(=O)N(C)c2ncco2)cc1
InChIInChI=1S/C26H32N4O4S/c1-20-10-15-24(27-16-6-9-21-7-4-3-5-8-21)35(32,33)30(20)19-22-11-13-23(14-12-22)25(31)29(2)26-28-17-18-34-26/h3-5,7-8,11-14,17-18,20,24,27H,6,9-10,15-16,19H2,1-2H3
InChIKeyICPCMPCSSWPZOR-UHFFFAOYSA-N
XLogP3.81
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N,N-dimethyl-5-(3-phenylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161434
N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174859
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109173399
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174754
N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 60704743
N-methyl-4-phenyl-N-[(3S)-1-[3-(3-phenylpropylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide
CID 10324082
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
1-benzyl-N,N-dimethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165010
4-butyl-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
CID 19030593
1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea
CID 68749941
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109214999

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide?
The IUPAC name of N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide (CID 123482551) is N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide?
The canonical SMILES for N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide is CC1CCC(NCCCc2ccccc2)S(=O)(=O)N1Cc1ccc(C(=O)N(C)c2ncco2)cc1.
What is the InChIKey of N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide?
The InChIKey is ICPCMPCSSWPZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-20-10-15-24(27-16-6-9-21-7-4-3-5-8-21)35(32,33)30(20)19-22-11-13-23(14-12-22)25(31)29(2)26-28-17-18-34-26/h3-5,7-8,11-14,17-18,20,24,27H,6,9-10,15-16,19H2,1-2H3.
What are the key properties of N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide?
N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide has a molecular weight of 496.63 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[3-methyl-1,1-dioxo-6-(3-phenylpropylamino)thiazinan-2-yl]methyl]-N-(1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 123482551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).