N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide

C15H20N2O6S2 — CID 171136981

IUPACN-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCS(=O)(=O)C=CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O6S2/c1-24(19,20)12-2-7-16-15(18)13-3-5-14(6-4-13)25(21,22)17-8-10-23-11-9-17/h2-6,12H,7-11H2,1H3,(H,16,18)
InChIKeyPKHOLTOKMVOPDC-UHFFFAOYSA-N
MW388.47 g/mol
LogP-0.00
Rot. Bonds6

About N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide

N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 171136981) has the molecular formula C15H20N2O6S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID171136981
Molecular FormulaC15H20N2O6S2
Molecular Weight388.47 g/mol
Exact Mass388.08
IUPAC NameN-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCS(=O)(=O)C=CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O6S2/c1-24(19,20)12-2-7-16-15(18)13-3-5-14(6-4-13)25(21,22)17-8-10-23-11-9-17/h2-6,12H,7-11H2,1H3,(H,16,18)
InChIKeyPKHOLTOKMVOPDC-UHFFFAOYSA-N
XLogP-0.00
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 110416759
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-morpholin-4-ylsulfonylbenzamide
CID 7944180
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 71808611
N-(2-methyl-2-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4882501

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide (CID 171136981) is N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide is CS(=O)(=O)C=CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PKHOLTOKMVOPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S2/c1-24(19,20)12-2-7-16-15(18)13-3-5-14(6-4-13)25(21,22)17-8-10-23-11-9-17/h2-6,12H,7-11H2,1H3,(H,16,18).
What are the key properties of N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 388.47 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 171136981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).