N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C23H30N4O6S — CID 55754799

IUPACN,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C23H30N4O6S/c1-17-21(34(30,31)27-9-3-4-10-27)15-20(33-17)23(29)25(2)16-22(28)24-18-5-7-19(8-6-18)26-11-13-32-14-12-26/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,24,28)
InChIKeyJMNGPMSMCHYJMK-UHFFFAOYSA-N
MW490.58 g/mol
LogP1.92
Rot. Bonds7

About N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55754799) has the molecular formula C23H30N4O6S and a molecular weight of 490.58 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55754799
Molecular FormulaC23H30N4O6S
Molecular Weight490.58 g/mol
Exact Mass490.19
IUPAC NameN,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C23H30N4O6S/c1-17-21(34(30,31)27-9-3-4-10-27)15-20(33-17)23(29)25(2)16-22(28)24-18-5-7-19(8-6-18)26-11-13-32-14-12-26/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,24,28)
InChIKeyJMNGPMSMCHYJMK-UHFFFAOYSA-N
XLogP1.92
TPSA112.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
3-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-sulfamoylbenzamide
CID 166330937
N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328411
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55352514
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 4820768
6-chloro-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 17437337
3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328562
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55755137

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 55754799) is N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is JMNGPMSMCHYJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6S/c1-17-21(34(30,31)27-9-3-4-10-27)15-20(33-17)23(29)25(2)16-22(28)24-18-5-7-19(8-6-18)26-11-13-32-14-12-26/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,24,28).
What are the key properties of N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55754799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).