N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide

C21H25NO4S — CID 3657524

IUPACN-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(CC1CCCO1)C(=O)c1ccccc1
InChIInChI=1S/C21H25NO4S/c1-16(17-10-12-20(13-11-17)27(2,24)25)22(15-19-9-6-14-26-19)21(23)18-7-4-3-5-8-18/h3-5,7-8,10-13,16,19H,6,9,14-15H2,1-2H3
InChIKeyLBXXOCMWSQMMAT-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.47
Rot. Bonds6

About N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide

N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3657524) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3657524
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC NameN-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(CC1CCCO1)C(=O)c1ccccc1
InChIInChI=1S/C21H25NO4S/c1-16(17-10-12-20(13-11-17)27(2,24)25)22(15-19-9-6-14-26-19)21(23)18-7-4-3-5-8-18/h3-5,7-8,10-13,16,19H,6,9,14-15H2,1-2H3
InChIKeyLBXXOCMWSQMMAT-UHFFFAOYSA-N
XLogP3.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 3193337
N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572046
N-cyclohexyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 5067748
4-Propylsulfamoyl-N-(tetrahydro-furan-2-ylmethyl)-benzamide
CID 652828
4-(3-{[(4-Methylphenyl)sulfonyl]methyl}benzoyl)morpholine
CID 2232266
3-{4-[(1-phenylethyl)sulfamoyl]phenyl}-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 5151307
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-(morpholine-4-sulfonyl)benzamide
CID 16268820
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-(2-methylpropyl)-4-(morpholine-4-sulfonyl)benzamide
CID 16268906
N-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(morpholinosulfonyl)benzamide
CID 16268912
N,N-dimethyl-4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 16276641
2-(benzenesulfonyl)ethyl (2S)-1-(2-oxo-2-phenylacetyl)pyrrolidine-2-carboxylate
CID 12050238
5-(benzylsulfamoyl)-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 24980506

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide (CID 3657524) is N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide is CC(c1ccc(S(C)(=O)=O)cc1)N(CC1CCCO1)C(=O)c1ccccc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is LBXXOCMWSQMMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-16(17-10-12-20(13-11-17)27(2,24)25)22(15-19-9-6-14-26-19)21(23)18-7-4-3-5-8-18/h3-5,7-8,10-13,16,19H,6,9,14-15H2,1-2H3.
What are the key properties of N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide?
N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 387.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3657524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).