N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide

C14H18N2O3S — CID 43744105

IUPACN-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide
SMILESCc1ccc(C(C)Nc2ccccc2NS(C)(=O)=O)o1
InChIInChI=1S/C14H18N2O3S/c1-10-8-9-14(19-10)11(2)15-12-6-4-5-7-13(12)16-20(3,17)18/h4-9,11,15-16H,1-3H3
InChIKeyMJXJRXIEWGYYJD-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.13
Rot. Bonds5

About N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide

N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide (PubChem CID 43744105) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide
PubChem CID43744105
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide
SMILESCc1ccc(C(C)Nc2ccccc2NS(C)(=O)=O)o1
InChIInChI=1S/C14H18N2O3S/c1-10-8-9-14(19-10)11(2)15-12-6-4-5-7-13(12)16-20(3,17)18/h4-9,11,15-16H,1-3H3
InChIKeyMJXJRXIEWGYYJD-UHFFFAOYSA-N
XLogP3.13
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43194719
2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43124775
N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43744046
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 107240310
2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 61077155
2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43196557
N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 54881791
N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide
CID 43743986
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitroaniline
CID 102605008
N-[2-[1-(furan-2-yl)propan-2-ylamino]phenyl]methanesulfonamide
CID 63085132
N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide
CID 83119346
N,2-dimethyl-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43734599

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide (CID 43744105) is N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide is Cc1ccc(C(C)Nc2ccccc2NS(C)(=O)=O)o1.
What is the InChIKey of N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide?
The InChIKey is MJXJRXIEWGYYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-8-9-14(19-10)11(2)15-12-6-4-5-7-13(12)16-20(3,17)18/h4-9,11,15-16H,1-3H3.
What are the key properties of N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide?
N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43744105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).