N-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide

C23H22N2O3S2 — CID 42940914

IUPACN-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C23H22N2O3S2/c1-28-19-10-4-2-7-16(19)14-25(15-17-8-6-12-29-17)22(26)13-21-23(27)24-18-9-3-5-11-20(18)30-21/h2-12,21H,13-15H2,1H3,(H,24,27)
InChIKeyZAJZLYVTUYDIBE-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.79
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide

N-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 42940914) has the molecular formula C23H22N2O3S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID42940914
Molecular FormulaC23H22N2O3S2
Molecular Weight438.57 g/mol
Exact Mass438.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C23H22N2O3S2/c1-28-19-10-4-2-7-16(19)14-25(15-17-8-6-12-29-17)22(26)13-21-23(27)24-18-9-3-5-11-20(18)30-21/h2-12,21H,13-15H2,1H3,(H,24,27)
InChIKeyZAJZLYVTUYDIBE-UHFFFAOYSA-N
XLogP4.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27824819
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9182914
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9469771
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 55549734
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119685041
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 42940914) is N-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide is COc1ccccc1CN(Cc1cccs1)C(=O)CC1Sc2ccccc2NC1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZAJZLYVTUYDIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S2/c1-28-19-10-4-2-7-16(19)14-25(15-17-8-6-12-29-17)22(26)13-21-23(27)24-18-9-3-5-11-20(18)30-21/h2-12,21H,13-15H2,1H3,(H,24,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 438.57 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 42940914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).