2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide

C19H24N2O5S2 — CID 132667426

IUPAC2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O5S2/c1-5-17(14-10-12-15(13-11-14)27(3,23)24)20-19(22)16-8-6-7-9-18(16)21(2)28(4,25)26/h6-13,17H,5H2,1-4H3,(H,20,22)
InChIKeyJVCRCXPCQPPAKJ-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.37
Rot. Bonds7

About 2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide

2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide (PubChem CID 132667426) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
PubChem CID132667426
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O5S2/c1-5-17(14-10-12-15(13-11-14)27(3,23)24)20-19(22)16-8-6-7-9-18(16)21(2)28(4,25)26/h6-13,17H,5H2,1-4H3,(H,20,22)
InChIKeyJVCRCXPCQPPAKJ-UHFFFAOYSA-N
XLogP2.37
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 92674839
2-iodo-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132672756
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612968
2-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-3-nitrobenzamide
CID 99995319
2-methyl-3-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191722
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-2-phenylacetamide
CID 125054362
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 28635604
2-(dimethylamino)-4-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrimidine-5-carboxamide
CID 72939948
1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
CID 50944728
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide
CID 131919960

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide (CID 132667426) is 2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide is CCC(NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide?
The InChIKey is JVCRCXPCQPPAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-5-17(14-10-12-15(13-11-14)27(3,23)24)20-19(22)16-8-6-7-9-18(16)21(2)28(4,25)26/h6-13,17H,5H2,1-4H3,(H,20,22).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide?
2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide has a molecular weight of 424.54 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide is sourced from PubChem (CID 132667426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).