N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide

C17H19NO3S2 — CID 3990030

IUPACN-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C17H19NO3S2/c1-13-4-6-14(7-5-13)17(19)18(11-16-3-2-9-22-16)15-8-10-23(20,21)12-15/h2-7,9,15H,8,10-12H2,1H3
InChIKeyZJJUAECXWMIZHI-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.89
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide

N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 3990030) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID3990030
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C17H19NO3S2/c1-13-4-6-14(7-5-13)17(19)18(11-16-3-2-9-22-16)15-8-10-23(20,21)12-15/h2-7,9,15H,8,10-12H2,1H3
InChIKeyZJJUAECXWMIZHI-UHFFFAOYSA-N
XLogP2.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 3990030) is N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide is Cc1ccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ZJJUAECXWMIZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S2/c1-13-4-6-14(7-5-13)17(19)18(11-16-3-2-9-22-16)15-8-10-23(20,21)12-15/h2-7,9,15H,8,10-12H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide?
N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 349.48 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 3990030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).