N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

C18H21NO3S2 — CID 2991517

IUPACN-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2sccc2C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C18H21NO3S2/c1-13-3-5-15(6-4-13)18(20)19(11-17-14(2)7-9-23-17)16-8-10-24(21,22)12-16/h3-7,9,16H,8,10-12H2,1-2H3
InChIKeyWAZPNBCOCCJEPO-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.19
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 2991517) has the molecular formula C18H21NO3S2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID2991517
Molecular FormulaC18H21NO3S2
Molecular Weight363.50 g/mol
Exact Mass363.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2sccc2C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C18H21NO3S2/c1-13-3-5-15(6-4-13)18(20)19(11-17-14(2)7-9-23-17)16-8-10-24(21,22)12-16/h3-7,9,16H,8,10-12H2,1-2H3
InChIKeyWAZPNBCOCCJEPO-UHFFFAOYSA-N
XLogP3.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.19
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-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 2991517) is N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccc(C(=O)N(Cc2sccc2C)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is WAZPNBCOCCJEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S2/c1-13-3-5-15(6-4-13)18(20)19(11-17-14(2)7-9-23-17)16-8-10-24(21,22)12-16/h3-7,9,16H,8,10-12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 363.50 g/mol, XLogP of 3.19, 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-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 2991517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).