N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide

C19H33N3O2S — CID 112504986

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide
SMILESCCN1CCN(C(C)(C)CNS(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C19H33N3O2S/c1-4-21-12-14-22(15-13-21)19(2,3)17-20-25(23,24)16-8-11-18-9-6-5-7-10-18/h5-7,9-10,20H,4,8,11-17H2,1-3H3
InChIKeySJLWDSLMEAXEEF-UHFFFAOYSA-N
MW367.56 g/mol
LogP1.95
Rot. Bonds9

About N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide

N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide (PubChem CID 112504986) has the molecular formula C19H33N3O2S and a molecular weight of 367.56 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide
PubChem CID112504986
Molecular FormulaC19H33N3O2S
Molecular Weight367.56 g/mol
Exact Mass367.23
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide
SMILESCCN1CCN(C(C)(C)CNS(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C19H33N3O2S/c1-4-21-12-14-22(15-13-21)19(2,3)17-20-25(23,24)16-8-11-18-9-6-5-7-10-18/h5-7,9-10,20H,4,8,11-17H2,1-3H3
InChIKeySJLWDSLMEAXEEF-UHFFFAOYSA-N
XLogP1.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide
CID 110664059
(2R)-2-(4-ethylpiperazin-1-yl)-4-phenylbutane-2-thiol
CID 174659467
benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate
CID 112504938
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
N-(3-chloro-2,2-dimethylpropyl)-2-phenylethanesulfonamide
CID 113295116
N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110736247
N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide
CID 113054093
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-phenylethanesulfonamide
CID 109379684
3-phenyl-N-(1-phenylethyl)propane-1-sulfonamide
CID 110755445
N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide
CID 51169466
N-[2-(aminomethyl)-2-ethylbutyl]-2-phenylethanesulfonamide
CID 106251290

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide (CID 112504986) is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide is CCN1CCN(C(C)(C)CNS(=O)(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is SJLWDSLMEAXEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2S/c1-4-21-12-14-22(15-13-21)19(2,3)17-20-25(23,24)16-8-11-18-9-6-5-7-10-18/h5-7,9-10,20H,4,8,11-17H2,1-3H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide?
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 367.56 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 112504986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).