N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide

C15H24N2O4S — CID 167961408

IUPACN-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)cc1NCCC1(OC)CCC1
InChIInChI=1S/C15H24N2O4S/c1-20-14-6-5-12(17-22(3,18)19)11-13(14)16-10-9-15(21-2)7-4-8-15/h5-6,11,16-17H,4,7-10H2,1-3H3
InChIKeyOIFBWBILZITJGB-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.44
Rot. Bonds8

About N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide

N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide (PubChem CID 167961408) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide
PubChem CID167961408
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)cc1NCCC1(OC)CCC1
InChIInChI=1S/C15H24N2O4S/c1-20-14-6-5-12(17-22(3,18)19)11-13(14)16-10-9-15(21-2)7-4-8-15/h5-6,11,16-17H,4,7-10H2,1-3H3
InChIKeyOIFBWBILZITJGB-UHFFFAOYSA-N
XLogP2.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
N-(5-formyl-6-methoxynaphthalen-2-yl)methanesulfonamide
CID 130392131
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-(3-methylbutyl)benzenesulfonamide
CID 55559864
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide
CID 21097532
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 134019095
N-(4,5-dimethoxy-2-methylphenyl)-1-(1-methoxycyclobutyl)methanesulfonamide
CID 126824105
N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide
CID 20504403
N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide
CID 43708233
2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline
CID 167915097

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide (CID 167961408) is N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide is COc1ccc(NS(C)(=O)=O)cc1NCCC1(OC)CCC1.
What is the InChIKey of N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide?
The InChIKey is OIFBWBILZITJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-20-14-6-5-12(17-22(3,18)19)11-13(14)16-10-9-15(21-2)7-4-8-15/h5-6,11,16-17H,4,7-10H2,1-3H3.
What are the key properties of N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide?
N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 167961408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).