N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide

C20H26N2O4S2 — CID 46614567

IUPACN-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide
SMILESCOc1ccccc1CN(CC(=O)N(C)C1CCS(=O)(=O)C1)Cc1cccs1
InChIInChI=1S/C20H26N2O4S2/c1-21(17-9-11-28(24,25)15-17)20(23)14-22(13-18-7-5-10-27-18)12-16-6-3-4-8-19(16)26-2/h3-8,10,17H,9,11-15H2,1-2H3
InChIKeyKUYBJTVSNBOIGM-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.40
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide

N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide (PubChem CID 46614567) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide
PubChem CID46614567
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide
SMILESCOc1ccccc1CN(CC(=O)N(C)C1CCS(=O)(=O)C1)Cc1cccs1
InChIInChI=1S/C20H26N2O4S2/c1-21(17-9-11-28(24,25)15-17)20(23)14-22(13-18-7-5-10-27-18)12-16-6-3-4-8-19(16)26-2/h3-8,10,17H,9,11-15H2,1-2H3
InChIKeyKUYBJTVSNBOIGM-UHFFFAOYSA-N
XLogP2.40
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-methylacetamide
CID 24587589
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 7183268
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113121253
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-enylacetamide
CID 31480086
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 3366355
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 60546547
2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 3719208
2-(2-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 46821915
N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 154775349
N-(1,1-dioxothiolan-3-yl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-methylacetamide
CID 112993812
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113162563

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide (CID 46614567) is N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide is COc1ccccc1CN(CC(=O)N(C)C1CCS(=O)(=O)C1)Cc1cccs1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide?
The InChIKey is KUYBJTVSNBOIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-21(17-9-11-28(24,25)15-17)20(23)14-22(13-18-7-5-10-27-18)12-16-6-3-4-8-19(16)26-2/h3-8,10,17H,9,11-15H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide has a molecular weight of 422.57 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-methylacetamide is sourced from PubChem (CID 46614567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).