N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide

C20H25NO3S — CID 86923007

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CS(=O)(=O)Cc2ccccc2C)cc1C
InChIInChI=1S/C20H25NO3S/c1-14-9-10-18(11-16(14)3)17(4)21-20(22)13-25(23,24)12-19-8-6-5-7-15(19)2/h5-11,17H,12-13H2,1-4H3,(H,21,22)
InChIKeyOMZBTZFTPMUAAA-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.40
Rot. Bonds6

About N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide

N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide (PubChem CID 86923007) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide
PubChem CID86923007
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CS(=O)(=O)Cc2ccccc2C)cc1C
InChIInChI=1S/C20H25NO3S/c1-14-9-10-18(11-16(14)3)17(4)21-20(22)13-25(23,24)12-19-8-6-5-7-15(19)2/h5-11,17H,12-13H2,1-4H3,(H,21,22)
InChIKeyOMZBTZFTPMUAAA-UHFFFAOYSA-N
XLogP3.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-[(2-methylphenyl)methylsulfonyl]acetamide
CID 94002660
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 17326498
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30303248
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 51224203
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 132659078
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591
2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 110881147
2-(2-chlorophenyl)sulfanyl-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7760987
2-[2-(diethylaminomethyl)anilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 60536828
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
CID 132665199
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 17326587

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide (CID 86923007) is N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide is Cc1ccc(C(C)NC(=O)CS(=O)(=O)Cc2ccccc2C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide?
The InChIKey is OMZBTZFTPMUAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-14-9-10-18(11-16(14)3)17(4)21-20(22)13-25(23,24)12-19-8-6-5-7-15(19)2/h5-11,17H,12-13H2,1-4H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide has a molecular weight of 359.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 86923007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).