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

C17H19NO4S2 — CID 3743404

IUPACN-(1,1-dioxothiolan-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C17H19NO4S2/c1-22-15-6-4-13(5-7-15)17(19)18(11-16-3-2-9-23-16)14-8-10-24(20,21)12-14/h2-7,9,14H,8,10-12H2,1H3
InChIKeyGYHGPDPUQWIPTN-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.59
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 3743404) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID3743404
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C17H19NO4S2/c1-22-15-6-4-13(5-7-15)17(19)18(11-16-3-2-9-23-16)14-8-10-24(20,21)12-14/h2-7,9,14H,8,10-12H2,1H3
InChIKeyGYHGPDPUQWIPTN-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

N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2477202
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 3846024
(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)-N-(4-methoxybenzyl)prop-2-enamide
CID 6049421
4-ethoxy-N-(2-thienylmethyl)benzamide
CID 897479
N-benzyl-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934185
1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 68227454
N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 668923
4-butoxy-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 4920966
N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 662928
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 665548
4-methoxy-3-(4-morpholinylsulfonyl)-N-(2-thienylmethyl)benzamide
CID 1081050
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl]benzamide
CID 2649382

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide (CID 3743404) is N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is GYHGPDPUQWIPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-22-15-6-4-13(5-7-15)17(19)18(11-16-3-2-9-23-16)14-8-10-24(20,21)12-14/h2-7,9,14H,8,10-12H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
N-(1,1-dioxothiolan-3-yl)-4-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)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 3743404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).