N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide

C17H24N2O4S2 — CID 71785159

IUPACN-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)c(C)c1
InChIInChI=1S/C17H24N2O4S2/c1-3-16(20)18-14-4-5-15(13(2)12-14)25(21,22)19-8-6-17(7-9-19)23-10-11-24-17/h4-5,12H,3,6-11H2,1-2H3,(H,18,20)
InChIKeyAKSISQGQRKFIDF-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.59
Rot. Bonds4

About N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide

N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide (PubChem CID 71785159) has the molecular formula C17H24N2O4S2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide
PubChem CID71785159
Molecular FormulaC17H24N2O4S2
Molecular Weight384.52 g/mol
Exact Mass384.12
IUPAC NameN-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)c(C)c1
InChIInChI=1S/C17H24N2O4S2/c1-3-16(20)18-14-4-5-15(13(2)12-14)25(21,22)19-8-6-17(7-9-19)23-10-11-24-17/h4-5,12H,3,6-11H2,1-2H3,(H,18,20)
InChIKeyAKSISQGQRKFIDF-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[4-[[7-(1,3-benzodioxol-5-yl)-1,4-thiazepan-4-yl]sulfonyl]-3-methylphenyl]propanamide
CID 90631046
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
CID 121160161
N-[3-methyl-4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]sulfonylphenyl]propanamide
CID 90629296
8-(3-chloro-2-methylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 56764694
8-(4-ethylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 90510709
N-[4-[(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)sulfonyl]-3-methylphenyl]propanamide
CID 121191744
N-[4-[(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)sulfamoyl]-3-methylphenyl]propanamide
CID 40889500
N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide
CID 97414748
N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
CID 90639440
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
CID 4316551

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide?
The IUPAC name of N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide (CID 71785159) is N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide.
What is the SMILES notation for N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide?
The canonical SMILES for N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)OCCS3)c(C)c1.
What is the InChIKey of N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide?
The InChIKey is AKSISQGQRKFIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S2/c1-3-16(20)18-14-4-5-15(13(2)12-14)25(21,22)19-8-6-17(7-9-19)23-10-11-24-17/h4-5,12H,3,6-11H2,1-2H3,(H,18,20).
What are the key properties of N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide?
N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide has a molecular weight of 384.52 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide is sourced from PubChem (CID 71785159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).