[4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate

C24H20ClN3O5S — CID 126662764

IUPAC[4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate
SMILESCCOC(=O)Oc1cnc(N)c2c(COc3cccc(C(=O)Nc4cccc(Cl)c4)c3)csc12
InChIInChI=1S/C24H20ClN3O5S/c1-2-31-24(30)33-19-11-27-22(26)20-15(13-34-21(19)20)12-32-18-8-3-5-14(9-18)23(29)28-17-7-4-6-16(25)10-17/h3-11,13H,2,12H2,1H3,(H2,26,27)(H,28,29)
InChIKeyKVPYUVBNMFIXBH-UHFFFAOYSA-N
MW497.96 g/mol
LogP5.90
Rot. Bonds7

About [4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate

[4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate (PubChem CID 126662764) has the molecular formula C24H20ClN3O5S and a molecular weight of 497.96 g/mol. Its IUPAC name is [4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate.

Molecular Properties

Compound Name[4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate
PubChem CID126662764
Molecular FormulaC24H20ClN3O5S
Molecular Weight497.96 g/mol
Exact Mass497.08
IUPAC Name[4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate
SMILESCCOC(=O)Oc1cnc(N)c2c(COc3cccc(C(=O)Nc4cccc(Cl)c4)c3)csc12
InChIInChI=1S/C24H20ClN3O5S/c1-2-31-24(30)33-19-11-27-22(26)20-15(13-34-21(19)20)12-32-18-8-3-5-14(9-18)23(29)28-17-7-4-6-16(25)10-17/h3-11,13H,2,12H2,1H3,(H2,26,27)(H,28,29)
InChIKeyKVPYUVBNMFIXBH-UHFFFAOYSA-N
XLogP5.90
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.96
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate with MolForge

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Related Compounds

[4-amino-3-[[3-[(4-chlorophenyl)-methylcarbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate
CID 126662804
ethyl [3-[[5-[(3-methoxybenzoyl)amino]-2-methylphenoxy]methyl]thieno[3,2-c]pyridin-7-yl] carbonate
CID 68570245
4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
CID 141166245
[4-amino-3-[[3-[(4-chlorophenyl)sulfonylamino]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] N-(2-hydroxyethyl)carbamate
CID 126662747
4-amino-N-(2-hydroxyethyl)-3-[[3-(pyridine-2-carbonylamino)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide
CID 58832880
3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide
CID 174587955
ethyl 4-amino-3-[(3-phenoxyphenoxy)methyl]thieno[3,2-c]pyridine-7-carboxylate;methane
CID 162100170
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792
N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569
3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
CID 17149674
N-(5-chloro-2-pyridinyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34137278

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate?
The IUPAC name of [4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate (CID 126662764) is [4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate.
What is the SMILES notation for [4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate?
The canonical SMILES for [4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate is CCOC(=O)Oc1cnc(N)c2c(COc3cccc(C(=O)Nc4cccc(Cl)c4)c3)csc12.
What is the InChIKey of [4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate?
The InChIKey is KVPYUVBNMFIXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O5S/c1-2-31-24(30)33-19-11-27-22(26)20-15(13-34-21(19)20)12-32-18-8-3-5-14(9-18)23(29)28-17-7-4-6-16(25)10-17/h3-11,13H,2,12H2,1H3,(H2,26,27)(H,28,29).
What are the key properties of [4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate?
[4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate has a molecular weight of 497.96 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-[[3-[(3-chlorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate is sourced from PubChem (CID 126662764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).