2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate

C19H12Cl2NO4S- — CID 59060393

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate
SMILESO=C(Nc1ccc(OCc2ccsc2)cc1C(=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl2NO4S/c20-12-1-3-14(16(21)7-12)18(23)22-17-4-2-13(8-15(17)19(24)25)26-9-11-5-6-27-10-11/h1-8,10H,9H2,(H,22,23)(H,24,25)/p-1
InChIKeyWTSMCFHNQCZWEL-UHFFFAOYSA-M
MW421.28 g/mol
LogP4.25
Rot. Bonds6

About 2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate

2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate (PubChem CID 59060393) has the molecular formula C19H12Cl2NO4S- and a molecular weight of 421.28 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate
PubChem CID59060393
Molecular FormulaC19H12Cl2NO4S-
Molecular Weight421.28 g/mol
Exact Mass419.99
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate
SMILESO=C(Nc1ccc(OCc2ccsc2)cc1C(=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl2NO4S/c20-12-1-3-14(16(21)7-12)18(23)22-17-4-2-13(8-15(17)19(24)25)26-9-11-5-6-27-10-11/h1-8,10H,9H2,(H,22,23)(H,24,25)/p-1
InChIKeyWTSMCFHNQCZWEL-UHFFFAOYSA-M
XLogP4.25
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen
CID 159142897
2-[(2,4-dichlorobenzoyl)amino]-5-phenylbenzoate
CID 59060344
2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 59060311
2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 102724484
2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid
CID 10138370
2-[(2,4-difluorobenzoyl)amino]-5-(thiophen-2-ylmethoxy)benzoate
CID 59060335
2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide
CID 142203086
2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid
CID 24957937
3-chloro-N-[3-(thiophen-3-ylmethoxy)phenyl]benzamide
CID 174587955
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]ethanone
CID 62074767
lithium;5-(1-benzothiophen-3-yl)-2-[(2,4-dichlorobenzoyl)amino]benzoate;methane
CID 161123218
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride
CID 173235311

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate (CID 59060393) is 2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate is O=C(Nc1ccc(OCc2ccsc2)cc1C(=O)[O-])c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate?
The InChIKey is WTSMCFHNQCZWEL-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H13Cl2NO4S/c20-12-1-3-14(16(21)7-12)18(23)22-17-4-2-13(8-15(17)19(24)25)26-9-11-5-6-27-10-11/h1-8,10H,9H2,(H,22,23)(H,24,25)/p-1.
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate?
2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate has a molecular weight of 421.28 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate is sourced from PubChem (CID 59060393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).