N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride

C18H30ClN3O5S — CID 120734138

IUPACN-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CNS(=O)(=O)CCOC(C)C.Cl
InChIInChI=1S/C18H29N3O5S.ClH/c1-14(2)26-10-11-27(23,24)20-13-18(22)21-9-8-19-12-16(21)15-6-4-5-7-17(15)25-3;/h4-7,14,16,19-20H,8-13H2,1-3H3;1H
InChIKeyQHTFAXVZPPSSBR-UHFFFAOYSA-N
MW435.97 g/mol
LogP0.93
Rot. Bonds9

About N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride

N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride (PubChem CID 120734138) has the molecular formula C18H30ClN3O5S and a molecular weight of 435.97 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride
PubChem CID120734138
Molecular FormulaC18H30ClN3O5S
Molecular Weight435.97 g/mol
Exact Mass435.16
IUPAC NameN-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CNS(=O)(=O)CCOC(C)C.Cl
InChIInChI=1S/C18H29N3O5S.ClH/c1-14(2)26-10-11-27(23,24)20-13-18(22)21-9-8-19-12-16(21)15-6-4-5-7-17(15)25-3;/h4-7,14,16,19-20H,8-13H2,1-3H3;1H
InChIKeyQHTFAXVZPPSSBR-UHFFFAOYSA-N
XLogP0.93
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.97
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride with MolForge

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120734946
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 120734221
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazole-4-sulfonamide
CID 120734272
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentylsulfonylethanone;hydrochloride
CID 120734916
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120735134
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120734212
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120734581
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 120732830
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride
CID 120733856

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride (CID 120734138) is N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride is COc1ccccc1C1CNCCN1C(=O)CNS(=O)(=O)CCOC(C)C.Cl.
What is the InChIKey of N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride?
The InChIKey is QHTFAXVZPPSSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5S.ClH/c1-14(2)26-10-11-27(23,24)20-13-18(22)21-9-8-19-12-16(21)15-6-4-5-7-17(15)25-3;/h4-7,14,16,19-20H,8-13H2,1-3H3;1H.
What are the key properties of N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride?
N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride has a molecular weight of 435.97 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride is sourced from PubChem (CID 120734138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).