2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

C18H26N2O5S2 — CID 9328428

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)C[C@H]3CCS(=O)(=O)C3)cc2)CC1
InChIInChI=1S/C18H26N2O5S2/c1-14-6-9-20(10-7-14)27(24,25)17-4-2-16(3-5-17)19-18(21)12-15-8-11-26(22,23)13-15/h2-5,14-15H,6-13H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyRXKLQZZQWXKHQL-OAHLLOKOSA-N
MW414.55 g/mol
LogP1.87
Rot. Bonds5

About 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 9328428) has the molecular formula C18H26N2O5S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID9328428
Molecular FormulaC18H26N2O5S2
Molecular Weight414.55 g/mol
Exact Mass414.13
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)C[C@H]3CCS(=O)(=O)C3)cc2)CC1
InChIInChI=1S/C18H26N2O5S2/c1-14-6-9-20(10-7-14)27(24,25)17-4-2-16(3-5-17)19-18(21)12-15-8-11-26(22,23)13-15/h2-5,14-15H,6-13H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyRXKLQZZQWXKHQL-OAHLLOKOSA-N
XLogP1.87
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9188283
4-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]benzoic acid
CID 43649099
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
2-cyclopentyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7926292
N-(4-aminophenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 55163078
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066641
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 40588060
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42335959
N-(3-chloro-4-methylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222844

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 9328428) is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)C[C@H]3CCS(=O)(=O)C3)cc2)CC1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is RXKLQZZQWXKHQL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O5S2/c1-14-6-9-20(10-7-14)27(24,25)17-4-2-16(3-5-17)19-18(21)12-15-8-11-26(22,23)13-15/h2-5,14-15H,6-13H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 9328428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).