2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide

C15H16N2O2S2 — CID 38710126

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccccc1SCC(N)=O
InChIInChI=1S/C15H16N2O2S2/c1-17(8-11-6-7-20-9-11)15(19)12-4-2-3-5-13(12)21-10-14(16)18/h2-7,9H,8,10H2,1H3,(H2,16,18)
InChIKeyPZJPUUIVMXGYNH-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.60
Rot. Bonds6

About 2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 38710126) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID38710126
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccccc1SCC(N)=O
InChIInChI=1S/C15H16N2O2S2/c1-17(8-11-6-7-20-9-11)15(19)12-4-2-3-5-13(12)21-10-14(16)18/h2-7,9H,8,10H2,1H3,(H2,16,18)
InChIKeyPZJPUUIVMXGYNH-UHFFFAOYSA-N
XLogP2.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 43249154
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62167817
3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113386383
3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide
CID 43528267
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 31362954
2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 79883708
N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 18117285
2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 103799855
phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
CID 60666169
6-amino-N-methyl-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 62155302
5-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 60674455
2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 115937127

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide (CID 38710126) is 2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1ccccc1SCC(N)=O.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is PZJPUUIVMXGYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-17(8-11-6-7-20-9-11)15(19)12-4-2-3-5-13(12)21-10-14(16)18/h2-7,9H,8,10H2,1H3,(H2,16,18).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 320.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 38710126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).