N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C22H28N2O4S — CID 133161652

IUPACN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C22H28N2O4S/c1-4-21(28-20-13-12-16-8-5-6-9-17(16)14-20)22(25)23-18-10-7-11-19(15-18)24(2)29(3,26)27/h7,10-15,21H,4-6,8-9H2,1-3H3,(H,23,25)
InChIKeyFIXMJLYHMJUFAK-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.76
Rot. Bonds7

About N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 133161652) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID133161652
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C22H28N2O4S/c1-4-21(28-20-13-12-16-8-5-6-9-17(16)14-20)22(25)23-18-10-7-11-19(15-18)24(2)29(3,26)27/h7,10-15,21H,4-6,8-9H2,1-3H3,(H,23,25)
InChIKeyFIXMJLYHMJUFAK-UHFFFAOYSA-N
XLogP3.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide
CID 132659215
N-(3-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133199833
N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185599
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-nitrophenyl)butanamide
CID 133186860
N-(4-ethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133160487
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100545596
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-propan-2-yloxyphenyl)butanamide
CID 133161996
4-[[(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]amino]benzamide
CID 100769036
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
(2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100643823
(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide
CID 9179674
(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 133161652) is N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CCC(Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is FIXMJLYHMJUFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-4-21(28-20-13-12-16-8-5-6-9-17(16)14-20)22(25)23-18-10-7-11-19(15-18)24(2)29(3,26)27/h7,10-15,21H,4-6,8-9H2,1-3H3,(H,23,25).
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 416.54 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 133161652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).