2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide

C22H31N3O5S — CID 92663718

IUPAC2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C22H31N3O5S/c1-16-7-8-17(2)21(13-16)25(31(27,28)24(4)5)14-22(26)23-18(3)15-30-20-11-9-19(29-6)10-12-20/h7-13,18H,14-15H2,1-6H3,(H,23,26)/t18-/m1/s1
InChIKeyBKBSQPRZFNVSRL-GOSISDBHSA-N
MW449.57 g/mol
LogP2.51
Rot. Bonds10

About 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide

2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide (PubChem CID 92663718) has the molecular formula C22H31N3O5S and a molecular weight of 449.57 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
PubChem CID92663718
Molecular FormulaC22H31N3O5S
Molecular Weight449.57 g/mol
Exact Mass449.20
IUPAC Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C22H31N3O5S/c1-16-7-8-17(2)21(13-16)25(31(27,28)24(4)5)14-22(26)23-18(3)15-30-20-11-9-19(29-6)10-12-20/h7-13,18H,14-15H2,1-6H3,(H,23,26)/t18-/m1/s1
InChIKeyBKBSQPRZFNVSRL-GOSISDBHSA-N
XLogP2.51
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide 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

N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281939
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 43902063
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132667273
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892470
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902234
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 132665488
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186558
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 53282064
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30303724
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43902337
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897103
(2R)-N-[(2R)-butan-2-yl]-2-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100618461

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide (CID 92663718) is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide is COc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The InChIKey is BKBSQPRZFNVSRL-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31N3O5S/c1-16-7-8-17(2)21(13-16)25(31(27,28)24(4)5)14-22(26)23-18(3)15-30-20-11-9-19(29-6)10-12-20/h7-13,18H,14-15H2,1-6H3,(H,23,26)/t18-/m1/s1.
What are the key properties of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide?
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide has a molecular weight of 449.57 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 92663718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).