N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide

C21H28N2O3S — CID 113069558

IUPACN-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
SMILESCc1cccc(C(C)C)c1N(CCNC(=O)Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-16(2)19-12-8-9-17(3)21(19)23(27(4,25)26)14-13-22-20(24)15-18-10-6-5-7-11-18/h5-12,16H,13-15H2,1-4H3,(H,22,24)
InChIKeyJFBUBGRRCFMWHF-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.24
Rot. Bonds8

About N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide

N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide (PubChem CID 113069558) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
PubChem CID113069558
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
SMILESCc1cccc(C(C)C)c1N(CCNC(=O)Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-16(2)19-12-8-9-17(3)21(19)23(27(4,25)26)14-13-22-20(24)15-18-10-6-5-7-11-18/h5-12,16H,13-15H2,1-4H3,(H,22,24)
InChIKeyJFBUBGRRCFMWHF-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide
CID 113069547
3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide
CID 113069555
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide
CID 113143277
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea
CID 113069568
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069067
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113068921
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069288
N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146233
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113069035
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069299
2-(2-methylphenyl)-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]acetamide
CID 113069429

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide (CID 113069558) is N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide is Cc1cccc(C(C)C)c1N(CCNC(=O)Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide?
The InChIKey is JFBUBGRRCFMWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-16(2)19-12-8-9-17(3)21(19)23(27(4,25)26)14-13-22-20(24)15-18-10-6-5-7-11-18/h5-12,16H,13-15H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide?
N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide has a molecular weight of 388.53 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 113069558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).