N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C23H25N3O4S2 — CID 25499243

IUPACN-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCOc1ccc(CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)[C@H](C)Cc2cccs2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-17(15-20-5-4-13-31-20)26(16-18-7-9-19(30-2)10-8-18)23(27)21-6-3-11-25-12-14-32(28,29)24-22(21)25/h3-11,13,17H,12,14-16H2,1-2H3/t17-/m1/s1
InChIKeyWWJYJMBUMOBZLH-QGZVFWFLSA-N
MW471.60 g/mol
LogP3.21
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 25499243) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID25499243
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCOc1ccc(CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)[C@H](C)Cc2cccs2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-17(15-20-5-4-13-31-20)26(16-18-7-9-19(30-2)10-8-18)23(27)21-6-3-11-25-12-14-32(28,29)24-22(21)25/h3-11,13,17H,12,14-16H2,1-2H3/t17-/m1/s1
InChIKeyWWJYJMBUMOBZLH-QGZVFWFLSA-N
XLogP3.21
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 16626042
N-[(4-methoxyphenyl)methyl]-3-oxo-N-(1-thiophen-2-ylpropan-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 42907866
N-(1,1-dioxothiolan-3-yl)-2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-methylacetamide
CID 24587589
N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 8564779
N-[(4-methoxyphenyl)methyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 33279598
2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide
CID 24587570
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 9012728
[2-[(4-methoxyphenyl)methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550945
N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 41218785
N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2402599
1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea
CID 8658573
2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 18276993

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 25499243) is N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is COc1ccc(CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)[C@H](C)Cc2cccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is WWJYJMBUMOBZLH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-17(15-20-5-4-13-31-20)26(16-18-7-9-19(30-2)10-8-18)23(27)21-6-3-11-25-12-14-32(28,29)24-22(21)25/h3-11,13,17H,12,14-16H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 25499243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).