methyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate

C18H19NO4S — CID 7243526

IUPACmethyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(c2cccs2)CCOCC1
InChIInChI=1S/C18H19NO4S/c1-22-16(20)13-5-2-3-6-14(13)19-17(21)18(8-10-23-11-9-18)15-7-4-12-24-15/h2-7,12H,8-11H2,1H3,(H,19,21)
InChIKeyDWRAQNGGICQEPW-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.22
Rot. Bonds4

About methyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate

methyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate (PubChem CID 7243526) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is methyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate
PubChem CID7243526
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Namemethyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(c2cccs2)CCOCC1
InChIInChI=1S/C18H19NO4S/c1-22-16(20)13-5-2-3-6-14(13)19-17(21)18(8-10-23-11-9-18)15-7-4-12-24-15/h2-7,12H,8-11H2,1H3,(H,19,21)
InChIKeyDWRAQNGGICQEPW-UHFFFAOYSA-N
XLogP3.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Thiophene-2-amido)benzoic acid
CID 643302
Methyl 3-[(2-fluorobenzoyl)amino]-2-thiophenecarboxylate
CID 579516
Ethyl 4-[(thiophen-2-ylacetyl)amino]benzoate
CID 779619
Methyl 3-[(4-isopropylbenzoyl)amino]-2-thiophenecarboxylate
CID 896134
Methyl 3-(2-phenylacetamido)thiophene-2-carboxylate
CID 4079571
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
Methyl 2-methyl-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 2808343
Ethyl 2-(4-morpholinyl)-5-[(2-thienylmethyl)amino]benzoate
CID 3162053
Ethyl 2-morpholin-4-yl-5-(2-thienylcarbonylamino)benzoate
CID 3163308
N-[3-(1,3-dioxan-2-yl)phenyl]-2-thiophenecarboxamide
CID 847833
2-thiophenecarboxylic acid (6-methyl-2-oxo-1H-quinolin-3-yl)methyl ester
CID 938851
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl thiophene-2-carboxylate
CID 943384

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate (CID 7243526) is methyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)C1(c2cccs2)CCOCC1.
What is the InChIKey of methyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate?
The InChIKey is DWRAQNGGICQEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-22-16(20)13-5-2-3-6-14(13)19-17(21)18(8-10-23-11-9-18)15-7-4-12-24-15/h2-7,12H,8-11H2,1H3,(H,19,21).
What are the key properties of methyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate?
methyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate has a molecular weight of 345.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-thiophen-2-yloxane-4-carbonyl)amino]benzoate is sourced from PubChem (CID 7243526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).