N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide

C17H26N2O4S — CID 125435531

IUPACN-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NC[C@@H]2CN(C(C)=O)CCO2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-4-5-15-6-8-17(9-7-15)24(21,22)18-12-16-13-19(14(2)20)10-11-23-16/h6-9,16,18H,3-5,10-13H2,1-2H3/t16-/m1/s1
InChIKeyNBHLPWAYQKHBLU-MRXNPFEDSA-N
MW354.47 g/mol
LogP1.55
Rot. Bonds7

About N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide

N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide (PubChem CID 125435531) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide
PubChem CID125435531
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NC[C@@H]2CN(C(C)=O)CCO2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-4-5-15-6-8-17(9-7-15)24(21,22)18-12-16-13-19(14(2)20)10-11-23-16/h6-9,16,18H,3-5,10-13H2,1-2H3/t16-/m1/s1
InChIKeyNBHLPWAYQKHBLU-MRXNPFEDSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682480
N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 18144537
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 125435518
N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide
CID 71992880
1-[(2S)-2-butylmorpholin-4-yl]ethanone
CID 155354328
2-(benzenesulfonamidomethyl)-1,4-oxazepane-4-carboxylic acid
CID 123828781
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propylbenzenesulfonamide
CID 3836231
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 166157668
4-[(3R)-3-methylsulfonylpyrrolidine-1-carbonyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 100740605
4-(2-chloroethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43662744

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide?
The IUPAC name of N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide (CID 125435531) is N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide.
What is the SMILES notation for N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide?
The canonical SMILES for N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide is CCCCc1ccc(S(=O)(=O)NC[C@@H]2CN(C(C)=O)CCO2)cc1.
What is the InChIKey of N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide?
The InChIKey is NBHLPWAYQKHBLU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-4-5-15-6-8-17(9-7-15)24(21,22)18-12-16-13-19(14(2)20)10-11-23-16/h6-9,16,18H,3-5,10-13H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide?
N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide is sourced from PubChem (CID 125435531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).