N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide

C21H28N2O5S — CID 133209994

IUPACN-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-15(2)28-18-10-8-9-17(13-18)23(29(5,25)26)14-21(24)22-16(3)19-11-6-7-12-20(19)27-4/h6-13,15-16H,14H2,1-5H3,(H,22,24)
InChIKeyRPRYPZXKKZMXSH-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.13
Rot. Bonds9

About N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide

N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide (PubChem CID 133209994) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide
PubChem CID133209994
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide
SMILESCOc1ccccc1C(C)NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-15(2)28-18-10-8-9-17(13-18)23(29(5,25)26)14-21(24)22-16(3)19-11-6-7-12-20(19)27-4/h6-13,15-16H,14H2,1-5H3,(H,22,24)
InChIKeyRPRYPZXKKZMXSH-UHFFFAOYSA-N
XLogP3.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 100518959
N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133251712
2-(3-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 32758659
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100710395
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 133186280
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125048959
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133235695
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 28573775
N-[1-(4-tert-butylphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide
CID 132673941
2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186630
2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262978
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 100766570

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide (CID 133209994) is N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide is COc1ccccc1C(C)NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide?
The InChIKey is RPRYPZXKKZMXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-15(2)28-18-10-8-9-17(13-18)23(29(5,25)26)14-21(24)22-16(3)19-11-6-7-12-20(19)27-4/h6-13,15-16H,14H2,1-5H3,(H,22,24).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide?
N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide has a molecular weight of 420.53 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 133209994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).