N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid

C18H35N2O8PS — CID 19863476

IUPACN-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid
SMILESCCN(CC)C(COCC(C)C)COc1ccc(NS(C)(=O)=O)cc1.O=P(O)(O)O
InChIInChI=1S/C18H32N2O4S.H3O4P/c1-6-20(7-2)17(13-23-12-15(3)4)14-24-18-10-8-16(9-11-18)19-25(5,21)22;1-5(2,3)4/h8-11,15,17,19H,6-7,12-14H2,1-5H3;(H3,1,2,3,4)
InChIKeyMUJIBNIUQCCVDH-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.89
Rot. Bonds12

About N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid

N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid (PubChem CID 19863476) has the molecular formula C18H35N2O8PS and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid
PubChem CID19863476
Molecular FormulaC18H35N2O8PS
Molecular Weight470.53 g/mol
Exact Mass470.19
IUPAC NameN-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid
SMILESCCN(CC)C(COCC(C)C)COc1ccc(NS(C)(=O)=O)cc1.O=P(O)(O)O
InChIInChI=1S/C18H32N2O4S.H3O4P/c1-6-20(7-2)17(13-23-12-15(3)4)14-24-18-10-8-16(9-11-18)19-25(5,21)22;1-5(2,3)4/h8-11,15,17,19H,6-7,12-14H2,1-5H3;(H3,1,2,3,4)
InChIKeyMUJIBNIUQCCVDH-UHFFFAOYSA-N
XLogP1.89
TPSA145.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride
CID 84760646
N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride
CID 22792478
4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide
CID 32647614
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894
[4-[1-[4-(methanesulfonamido)phenoxy]propan-2-yl]-2-methylphenyl] propanoate
CID 91064459
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-propan-2-ylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 15072509
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
[[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea
CID 89489484
2-chloro-5-(methanesulfonamido)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 93487152
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42915712

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid?
The IUPAC name of N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid (CID 19863476) is N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid.
What is the SMILES notation for N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid?
The canonical SMILES for N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid is CCN(CC)C(COCC(C)C)COc1ccc(NS(C)(=O)=O)cc1.O=P(O)(O)O.
What is the InChIKey of N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid?
The InChIKey is MUJIBNIUQCCVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4S.H3O4P/c1-6-20(7-2)17(13-23-12-15(3)4)14-24-18-10-8-16(9-11-18)19-25(5,21)22;1-5(2,3)4/h8-11,15,17,19H,6-7,12-14H2,1-5H3;(H3,1,2,3,4).
What are the key properties of N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid?
N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid has a molecular weight of 470.53 g/mol, XLogP of 1.89, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)-3-(2-methylpropoxy)propoxy]phenyl]methanesulfonamide;phosphoric acid is sourced from PubChem (CID 19863476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).