N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide

C26H33N3O5S — CID 55332200

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(=O)NCC(c2ccco2)N(C)C)S(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C26H33N3O5S/c1-19-8-13-25(20(2)17-19)35(31,32)29(21-9-11-22(33-5)12-10-21)15-14-26(30)27-18-23(28(3)4)24-7-6-16-34-24/h6-13,16-17,23H,14-15,18H2,1-5H3,(H,27,30)
InChIKeySUBQQNCTLOHWOX-UHFFFAOYSA-N
MW499.63 g/mol
LogP3.91
Rot. Bonds11

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide (PubChem CID 55332200) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide
PubChem CID55332200
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(=O)NCC(c2ccco2)N(C)C)S(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C26H33N3O5S/c1-19-8-13-25(20(2)17-19)35(31,32)29(21-9-11-22(33-5)12-10-21)15-14-26(30)27-18-23(28(3)4)24-7-6-16-34-24/h6-13,16-17,23H,14-15,18H2,1-5H3,(H,27,30)
InChIKeySUBQQNCTLOHWOX-UHFFFAOYSA-N
XLogP3.91
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide 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

3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 34238896
3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 29435894
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dimethylphenoxy)propanamide
CID 78784104
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 25342331
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 19114412
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26819049
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 16875570
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 26819079
2-[(3R)-1-[3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanoyl]pyrrolidin-3-yl]-N-methylacetamide
CID 166434584
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43019245
3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110302123
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819067

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide (CID 55332200) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide is COc1ccc(N(CCC(=O)NCC(c2ccco2)N(C)C)S(=O)(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide?
The InChIKey is SUBQQNCTLOHWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-19-8-13-25(20(2)17-19)35(31,32)29(21-9-11-22(33-5)12-10-21)15-14-26(30)27-18-23(28(3)4)24-7-6-16-34-24/h6-13,16-17,23H,14-15,18H2,1-5H3,(H,27,30).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide has a molecular weight of 499.63 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide is sourced from PubChem (CID 55332200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).