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

C17H19NO4S2 — CID 3846024

IUPACN-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H19NO4S2/c1-22-15-5-2-4-13(10-15)17(19)18(11-16-6-3-8-23-16)14-7-9-24(20,21)12-14/h2-6,8,10,14H,7,9,11-12H2,1H3
InChIKeyYYRCRVINVIRMTN-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.59
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 3846024) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID3846024
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H19NO4S2/c1-22-15-5-2-4-13(10-15)17(19)18(11-16-6-3-8-23-16)14-7-9-24(20,21)12-14/h2-6,8,10,14H,7,9,11-12H2,1H3
InChIKeyYYRCRVINVIRMTN-UHFFFAOYSA-N
XLogP2.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-Methoxyphenyl)methylsulfamoyl]thiophene-2-carboxamide
CID 20900828
[4-(3,5-Dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 1074729
N-(3-Methoxybenzyl)-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934037
N-(3-Methoxybenzyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934039
N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934183
N-(3-Hydroxybenzyl)-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934325
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 4790991
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 664684
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 665548
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethoxybenzamide
CID 2379777
3-methoxy-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3242103
N-(4-methoxybenzyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide 5-oxide
CID 3466417

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide (CID 3846024) is N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide is COc1cccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is YYRCRVINVIRMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-22-15-5-2-4-13(10-15)17(19)18(11-16-6-3-8-23-16)14-7-9-24(20,21)12-14/h2-6,8,10,14H,7,9,11-12H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide?
N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 365.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 3846024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).