N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide

C22H23N3O7S — CID 54766832

IUPACN-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1cc(CCC(=O)NCc2ccco2)ccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C22H23N3O7S/c1-15-12-17(25(27)28)7-8-19(15)24-33(29,30)21-9-5-16(13-20(21)31-2)6-10-22(26)23-14-18-4-3-11-32-18/h3-5,7-9,11-13,24H,6,10,14H2,1-2H3,(H,23,26)
InChIKeyMZZZLYGXYDBKHD-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.55
Rot. Bonds10

About N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide

N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide (PubChem CID 54766832) has the molecular formula C22H23N3O7S and a molecular weight of 473.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide
PubChem CID54766832
Molecular FormulaC22H23N3O7S
Molecular Weight473.51 g/mol
Exact Mass473.13
IUPAC NameN-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1cc(CCC(=O)NCc2ccco2)ccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C22H23N3O7S/c1-15-12-17(25(27)28)7-8-19(15)24-33(29,30)21-9-5-16(13-20(21)31-2)6-10-22(26)23-14-18-4-3-11-32-18/h3-5,7-9,11-13,24H,6,10,14H2,1-2H3,(H,23,26)
InChIKeyMZZZLYGXYDBKHD-UHFFFAOYSA-N
XLogP3.55
TPSA140.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide
CID 54767138
N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide
CID 78815640
N-(furan-2-ylmethyl)-2-methoxy-4-nitroaniline
CID 43720039
N-(4-iodo-2-methylphenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 60533112
3-(3,4-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]propanamide
CID 23087634
N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2632905
3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 55512609
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide
CID 108945055
1-(furan-2-ylmethyl)-3-(2-methyl-5-nitrophenyl)thiourea
CID 8620231
N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide
CID 26982526
2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 27142980
2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide
CID 75379407

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide (CID 54766832) is N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide is COc1cc(CCC(=O)NCc2ccco2)ccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is MZZZLYGXYDBKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O7S/c1-15-12-17(25(27)28)7-8-19(15)24-33(29,30)21-9-5-16(13-20(21)31-2)6-10-22(26)23-14-18-4-3-11-32-18/h3-5,7-9,11-13,24H,6,10,14H2,1-2H3,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide?
N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 473.51 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 54766832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).