N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide

C23H33N3O4S — CID 41291640

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
SMILESCCc1ccc([C@H](NCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C(C)C)cc1
InChIInChI=1S/C23H33N3O4S/c1-7-17-8-10-18(11-9-17)23(16(2)3)24-15-22(27)25-20-14-19(12-13-21(20)30-6)31(28,29)26(4)5/h8-14,16,23-24H,7,15H2,1-6H3,(H,25,27)/t23-/m1/s1
InChIKeyYGARXTAUFDBDTL-HSZRJFAPSA-N
MW447.60 g/mol
LogP3.43
Rot. Bonds10

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide (PubChem CID 41291640) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
PubChem CID41291640
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
SMILESCCc1ccc([C@H](NCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C(C)C)cc1
InChIInChI=1S/C23H33N3O4S/c1-7-17-8-10-18(11-9-17)23(16(2)3)24-15-22(27)25-20-14-19(12-13-21(20)30-6)31(28,29)26(4)5/h8-14,16,23-24H,7,15H2,1-6H3,(H,25,27)/t23-/m1/s1
InChIKeyYGARXTAUFDBDTL-HSZRJFAPSA-N
XLogP3.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 17406570
N-(2,5-dimethoxyphenyl)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991941
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylethylamino)acetamide
CID 42913358
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethylbenzoate
CID 7364669
N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8970456
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8971255
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetamide
CID 8834661
(2R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpentanamide
CID 8838802
N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131563

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide (CID 41291640) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide is CCc1ccc([C@H](NCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C(C)C)cc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is YGARXTAUFDBDTL-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-7-17-8-10-18(11-9-17)23(16(2)3)24-15-22(27)25-20-14-19(12-13-21(20)30-6)31(28,29)26(4)5/h8-14,16,23-24H,7,15H2,1-6H3,(H,25,27)/t23-/m1/s1.
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 447.60 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 41291640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).