N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline

C17H21N3O6S — CID 43025711

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESCc1ccc(C(C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C17H21N3O6S/c1-12-3-6-16(26-12)13(2)18-15-5-4-14(20(21)22)11-17(15)27(23,24)19-7-9-25-10-8-19/h3-6,11,13,18H,7-10H2,1-2H3
InChIKeyZFTKPPPSIHONLG-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.69
Rot. Bonds6

About N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline

N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline (PubChem CID 43025711) has the molecular formula C17H21N3O6S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
PubChem CID43025711
Molecular FormulaC17H21N3O6S
Molecular Weight395.44 g/mol
Exact Mass395.12
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESCc1ccc(C(C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C17H21N3O6S/c1-12-3-6-16(26-12)13(2)18-15-5-4-14(20(21)22)11-17(15)27(23,24)19-7-9-25-10-8-19/h3-6,11,13,18H,7-10H2,1-2H3
InChIKeyZFTKPPPSIHONLG-UHFFFAOYSA-N
XLogP2.69
TPSA114.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 25386677
N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 133412806
N-[(1R)-2-methyl-1-phenylpropyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 25386671
N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 26037148
2-[1-(5-methylfuran-2-yl)ethylamino]-5-nitrobenzonitrile
CID 43025707
N-(4-methylcyclohexyl)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 46797878
2,2,6,6-tetramethyl-N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidin-4-amine
CID 18144600
4-(2-ethyl-5-nitrophenyl)sulfonylmorpholine
CID 47454150
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitroaniline
CID 43719162
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 75455191
2-(3-chlorophenyl)-2-(2-morpholin-4-ylsulfonyl-4-nitroanilino)ethanol
CID 102557683
N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 9078080

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline (CID 43025711) is N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline is Cc1ccc(C(C)Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The InChIKey is ZFTKPPPSIHONLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6S/c1-12-3-6-16(26-12)13(2)18-15-5-4-14(20(21)22)11-17(15)27(23,24)19-7-9-25-10-8-19/h3-6,11,13,18H,7-10H2,1-2H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline has a molecular weight of 395.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline is sourced from PubChem (CID 43025711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).