2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide

C19H24N2O4S2 — CID 60546547

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C19H24N2O4S2/c1-25-18-7-3-2-5-16(18)13-21(14-17-6-4-10-26-17)19(22)15-20-8-11-27(23,24)12-9-20/h2-7,10H,8-9,11-15H2,1H3
InChIKeyITEPKRPJSYYJIE-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.02
Rot. Bonds7

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 60546547) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID60546547
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C19H24N2O4S2/c1-25-18-7-3-2-5-16(18)13-21(14-17-6-4-10-26-17)19(22)15-20-8-11-27(23,24)12-9-20/h2-7,10H,8-9,11-15H2,1H3
InChIKeyITEPKRPJSYYJIE-UHFFFAOYSA-N
XLogP2.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 168975865
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 17499347
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
N-[(2-methoxyphenyl)methyl]-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757691
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
N-[(2-methoxyphenyl)methyl]-2-(2-nitrophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 8699994
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 26905533

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide (CID 60546547) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide is COc1ccccc1CN(Cc1cccs1)C(=O)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ITEPKRPJSYYJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-25-18-7-3-2-5-16(18)13-21(14-17-6-4-10-26-17)19(22)15-20-8-11-27(23,24)12-9-20/h2-7,10H,8-9,11-15H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 408.55 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 60546547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).