3-methyl-N-methylsulfonylbenzamide;nonane;pentane

C23H43NO3S — CID 143716658

IUPAC3-methyl-N-methylsulfonylbenzamide;nonane;pentane
SMILESCCCCC.CCCCCCCCC.Cc1cccc(C(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C9H11NO3S.C9H20.C5H12/c1-7-4-3-5-8(6-7)9(11)10-14(2,12)13;1-3-5-7-9-8-6-4-2;1-3-5-4-2/h3-6H,1-2H3,(H,10,11);3-9H2,1-2H3;3-5H2,1-2H3
InChIKeyCPRVOYGCVFWVHP-UHFFFAOYSA-N
MW413.67 g/mol
LogP6.64
Rot. Bonds10

About 3-methyl-N-methylsulfonylbenzamide;nonane;pentane

3-methyl-N-methylsulfonylbenzamide;nonane;pentane (PubChem CID 143716658) has the molecular formula C23H43NO3S and a molecular weight of 413.67 g/mol. Its IUPAC name is 3-methyl-N-methylsulfonylbenzamide;nonane;pentane.

Molecular Properties

Compound Name3-methyl-N-methylsulfonylbenzamide;nonane;pentane
PubChem CID143716658
Molecular FormulaC23H43NO3S
Molecular Weight413.67 g/mol
Exact Mass413.30
IUPAC Name3-methyl-N-methylsulfonylbenzamide;nonane;pentane
SMILESCCCCC.CCCCCCCCC.Cc1cccc(C(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C9H11NO3S.C9H20.C5H12/c1-7-4-3-5-8(6-7)9(11)10-14(2,12)13;1-3-5-7-9-8-6-4-2;1-3-5-4-2/h3-6H,1-2H3,(H,10,11);3-9H2,1-2H3;3-5H2,1-2H3
InChIKeyCPRVOYGCVFWVHP-UHFFFAOYSA-N
XLogP6.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.67
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-methylsulfonylbenzamide
CID 18331681
N-ethylsulfonyl-3-methylbenzamide
CID 18331692
3-methyl-N'-octanoylbenzohydrazide
CID 2218282
2-deuterio-5-methyl-N-methylsulfonylbenzamide
CID 134967847
3-bromo-N-methylsulfonylbenzamide
CID 47269279
N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide
CID 4950738
N,N-dibutyl-3-(tribromomethylsulfonyl)benzenesulfonamide;1-dodecylsulfonyl-3-(tribromomethylsulfonyl)benzene;N-methylsulfonyl-3-(tribromomethylsulfonyl)benzamide;1-methyl-3-(tribromomethylsulfonyl)benzene
CID 91399245
N-[2-[(N-hexyl-N'-methylcarbamimidoyl)amino]ethyl]-3-methylbenzamide;hydroiodide
CID 111161670
3-methyl-N-[4-(pentylamino)phenyl]benzamide
CID 112985190
N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide
CID 67921776
heptadecyl 3-methylbenzoate
CID 530478
3-methyl-N,N-di(undecyl)benzamide
CID 533252

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-methylsulfonylbenzamide;nonane;pentane?
The IUPAC name of 3-methyl-N-methylsulfonylbenzamide;nonane;pentane (CID 143716658) is 3-methyl-N-methylsulfonylbenzamide;nonane;pentane.
What is the SMILES notation for 3-methyl-N-methylsulfonylbenzamide;nonane;pentane?
The canonical SMILES for 3-methyl-N-methylsulfonylbenzamide;nonane;pentane is CCCCC.CCCCCCCCC.Cc1cccc(C(=O)NS(C)(=O)=O)c1.
What is the InChIKey of 3-methyl-N-methylsulfonylbenzamide;nonane;pentane?
The InChIKey is CPRVOYGCVFWVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S.C9H20.C5H12/c1-7-4-3-5-8(6-7)9(11)10-14(2,12)13;1-3-5-7-9-8-6-4-2;1-3-5-4-2/h3-6H,1-2H3,(H,10,11);3-9H2,1-2H3;3-5H2,1-2H3.
What are the key properties of 3-methyl-N-methylsulfonylbenzamide;nonane;pentane?
3-methyl-N-methylsulfonylbenzamide;nonane;pentane has a molecular weight of 413.67 g/mol, XLogP of 6.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-methylsulfonylbenzamide;nonane;pentane is sourced from PubChem (CID 143716658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).