4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide

C24H34N2O4S — CID 125080189

IUPAC4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide
SMILESCCOc1ccc(N(CCCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C24H34N2O4S/c1-7-30-22-12-10-21(11-13-22)26(31(6,28)29)14-8-9-24(27)25-20(5)23-16-18(3)17(2)15-19(23)4/h10-13,15-16,20H,7-9,14H2,1-6H3,(H,25,27)/t20-/m1/s1
InChIKeyHDPOKWZOZKLHBB-HXUWFJFHSA-N
MW446.61 g/mol
LogP4.43
Rot. Bonds10

About 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide

4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide (PubChem CID 125080189) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide
PubChem CID125080189
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC Name4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide
SMILESCCOc1ccc(N(CCCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C24H34N2O4S/c1-7-30-22-12-10-21(11-13-22)26(31(6,28)29)14-8-9-24(27)25-20(5)23-16-18(3)17(2)15-19(23)4/h10-13,15-16,20H,7-9,14H2,1-6H3,(H,25,27)/t20-/m1/s1
InChIKeyHDPOKWZOZKLHBB-HXUWFJFHSA-N
XLogP4.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 53287004
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 99132446
4-(4-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 133217446
N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 53286903
4-(4-ethoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53286904
N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 125087150
2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906817
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125042890
2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30463931
4-(4-methoxy-N-methylsulfonylanilino)-N-[1-(2-methylphenyl)ethyl]butanamide
CID 133230757
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]butanamide
CID 99130773
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 124561496

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide?
The IUPAC name of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide (CID 125080189) is 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide is CCOc1ccc(N(CCCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide?
The InChIKey is HDPOKWZOZKLHBB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-7-30-22-12-10-21(11-13-22)26(31(6,28)29)14-8-9-24(27)25-20(5)23-16-18(3)17(2)15-19(23)4/h10-13,15-16,20H,7-9,14H2,1-6H3,(H,25,27)/t20-/m1/s1.
What are the key properties of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide?
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide has a molecular weight of 446.61 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide is sourced from PubChem (CID 125080189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).