N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide

C26H30N2O5S — CID 43898665

IUPACN-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
SMILESCCC(NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C26H30N2O5S/c1-4-25(21-10-14-23(32-2)15-11-21)27-26(29)18-28(34(3,30)31)22-12-16-24(17-13-22)33-19-20-8-6-5-7-9-20/h5-17,25H,4,18-19H2,1-3H3,(H,27,29)
InChIKeyQANSUJRXPTWIAK-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.31
Rot. Bonds11

About N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide

N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide (PubChem CID 43898665) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
PubChem CID43898665
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
SMILESCCC(NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C26H30N2O5S/c1-4-25(21-10-14-23(32-2)15-11-21)27-26(29)18-28(34(3,30)31)22-12-16-24(17-13-22)33-19-20-8-6-5-7-9-20/h5-17,25H,4,18-19H2,1-3H3,(H,27,29)
InChIKeyQANSUJRXPTWIAK-UHFFFAOYSA-N
XLogP4.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43915575
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28631718
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30219828
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92681417
2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28632681
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 133249821
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28572366
2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885818
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide
CID 92673488
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 92671895
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30220367
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92681523

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide (CID 43898665) is N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide is CCC(NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide?
The InChIKey is QANSUJRXPTWIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-4-25(21-10-14-23(32-2)15-11-21)27-26(29)18-28(34(3,30)31)22-12-16-24(17-13-22)33-19-20-8-6-5-7-9-20/h5-17,25H,4,18-19H2,1-3H3,(H,27,29).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide?
N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide has a molecular weight of 482.60 g/mol, XLogP of 4.31, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide is sourced from PubChem (CID 43898665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).