N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide

C20H24N2O4S2 — CID 55622118

IUPACN-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(SCCNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O4S2/c1-16-6-8-17(9-7-16)27-15-10-21-20(23)18-4-2-3-5-19(18)28(24,25)22-11-13-26-14-12-22/h2-9H,10-15H2,1H3,(H,21,23)
InChIKeyYZIHFTMKSMRJPK-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.54
Rot. Bonds7

About N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide

N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide (PubChem CID 55622118) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide
PubChem CID55622118
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(SCCNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O4S2/c1-16-6-8-17(9-7-16)27-15-10-21-20(23)18-4-2-3-5-19(18)28(24,25)22-11-13-26-14-12-22/h2-9H,10-15H2,1H3,(H,21,23)
InChIKeyYZIHFTMKSMRJPK-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119407704
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
2-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 39944232
N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8565449
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 8565448
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
N-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625602
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55932656
2-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 31972800
N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide
CID 24629694

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide (CID 55622118) is N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide is Cc1ccc(SCCNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YZIHFTMKSMRJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-16-6-8-17(9-7-16)27-15-10-21-20(23)18-4-2-3-5-19(18)28(24,25)22-11-13-26-14-12-22/h2-9H,10-15H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide?
N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide has a molecular weight of 420.56 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfanylethyl]-2-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55622118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).