2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide

C21H28N2O3S — CID 100701915

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@H](C)NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-17-7-11-19(12-8-17)16(3)22-21(24)15-23(27(4,25)26)20-13-9-18(6-2)10-14-20/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeyWFHRBWTXVORUKJ-INIZCTEOSA-N
MW388.53 g/mol
LogP3.45
Rot. Bonds8

About 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide

2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 100701915) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
PubChem CID100701915
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@H](C)NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-5-17-7-11-19(12-8-17)16(3)22-21(24)15-23(27(4,25)26)20-13-9-18(6-2)10-14-20/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeyWFHRBWTXVORUKJ-INIZCTEOSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133184692
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 100547113
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133163045
2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154143
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43916316
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125048959
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166559
4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100567468
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 93487961
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166334

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide (CID 100701915) is 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc([C@H](C)NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is WFHRBWTXVORUKJ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-17-7-11-19(12-8-17)16(3)22-21(24)15-23(27(4,25)26)20-13-9-18(6-2)10-14-20/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 100701915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).