N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride

C16H25ClN4O5S — CID 120664813

IUPACN-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(OC)c(C2(C)NC(=O)NC2=O)c1.Cl
InChIInChI=1S/C16H24N4O5S.ClH/c1-5-17-10(2)9-18-26(23,24)11-6-7-13(25-4)12(8-11)16(3)14(21)19-15(22)20-16;/h6-8,10,17-18H,5,9H2,1-4H3,(H2,19,20,21,22);1H/t10-,16?;/m1./s1
InChIKeyLNWWWRZDQJRZQP-JQXFSTLXSA-N
MW420.92 g/mol
LogP0.45
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120664813) has the molecular formula C16H25ClN4O5S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120664813
Molecular FormulaC16H25ClN4O5S
Molecular Weight420.92 g/mol
Exact Mass420.12
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(OC)c(C2(C)NC(=O)NC2=O)c1.Cl
InChIInChI=1S/C16H24N4O5S.ClH/c1-5-17-10(2)9-18-26(23,24)11-6-7-13(25-4)12(8-11)16(3)14(21)19-15(22)20-16;/h6-8,10,17-18H,5,9H2,1-4H3,(H2,19,20,21,22);1H/t10-,16?;/m1./s1
InChIKeyLNWWWRZDQJRZQP-JQXFSTLXSA-N
XLogP0.45
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 120824957
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
CID 119960766
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974457
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968701
3-bromo-4-ethoxy-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
CID 120664517
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride
CID 120664583
3-bromo-N-[(2R)-2-(ethylamino)propyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 120664929
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 120664921
4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
CID 119966018

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride (CID 120664813) is N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1ccc(OC)c(C2(C)NC(=O)NC2=O)c1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is LNWWWRZDQJRZQP-JQXFSTLXSA-N. The full InChI is InChI=1S/C16H24N4O5S.ClH/c1-5-17-10(2)9-18-26(23,24)11-6-7-13(25-4)12(8-11)16(3)14(21)19-15(22)20-16;/h6-8,10,17-18H,5,9H2,1-4H3,(H2,19,20,21,22);1H/t10-,16?;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 420.92 g/mol, XLogP of 0.45, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120664813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).