2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide

C15H22N2O4S — CID 60550431

IUPAC2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-12-6-3-4-7-13(12)15(19)17-10-8-14(18)16-9-5-11-22(2,20)21/h3-4,6-7H,5,8-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeySEQUVNRYRDDRRM-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.67
Rot. Bonds8

About 2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide

2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide (PubChem CID 60550431) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide
PubChem CID60550431
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-12-6-3-4-7-13(12)15(19)17-10-8-14(18)16-9-5-11-22(2,20)21/h3-4,6-7H,5,8-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeySEQUVNRYRDDRRM-UHFFFAOYSA-N
XLogP0.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
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12-[(2-methylbenzoyl)amino]dodecanoic acid
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2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
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N-hexyl-2-methylbenzamide
CID 3017102
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8530728
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 9182422

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide (CID 60550431) is 2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide is Cc1ccccc1C(=O)NCCC(=O)NCCCS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide?
The InChIKey is SEQUVNRYRDDRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12-6-3-4-7-13(12)15(19)17-10-8-14(18)16-9-5-11-22(2,20)21/h3-4,6-7H,5,8-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide?
2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide has a molecular weight of 326.42 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 60550431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).