N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide

C19H28N2O5S2 — CID 16268994

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C
InChIInChI=1S/C19H28N2O5S2/c1-3-21(17-10-13-27(23,24)14-17)19(22)16-4-6-18(7-5-16)28(25,26)20-11-8-15(2)9-12-20/h4-7,15,17H,3,8-14H2,1-2H3
InChIKeyLYJUWEWDPMHXSB-UHFFFAOYSA-N
MW428.60 g/mol
LogP1.80
Rot. Bonds5

About N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide

N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide (PubChem CID 16268994) has the molecular formula C19H28N2O5S2 and a molecular weight of 428.60 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide
PubChem CID16268994
Molecular FormulaC19H28N2O5S2
Molecular Weight428.60 g/mol
Exact Mass428.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C
InChIInChI=1S/C19H28N2O5S2/c1-3-21(17-10-13-27(23,24)14-17)19(22)16-4-6-18(7-5-16)28(25,26)20-11-8-15(2)9-12-20/h4-7,15,17H,3,8-14H2,1-2H3
InChIKeyLYJUWEWDPMHXSB-UHFFFAOYSA-N
XLogP1.80
TPSA109.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity753

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide?
The IUPAC name of N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide (CID 16268994) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide?
The canonical SMILES for N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide is CCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C.
What is the InChIKey of N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide?
The InChIKey is LYJUWEWDPMHXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S2/c1-3-21(17-10-13-27(23,24)14-17)19(22)16-4-6-18(7-5-16)28(25,26)20-11-8-15(2)9-12-20/h4-7,15,17H,3,8-14H2,1-2H3.
What are the key properties of N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide?
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide has a molecular weight of 428.60 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-ethyl-4-[(4-methylpiperidin-1-yl)sulfonyl]benzamide is sourced from PubChem (CID 16268994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).