ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate

C21H19NO4S — CID 142863681

IUPACethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)c2cc(-c3ccc(O)cc3)cs2)cc1
InChIInChI=1S/C21H19NO4S/c1-2-26-20(24)11-14-3-7-17(8-4-14)22-21(25)19-12-16(13-27-19)15-5-9-18(23)10-6-15/h3-10,12-13,23H,2,11H2,1H3,(H,22,25)
InChIKeyAMWZLOPWQYJVRJ-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.48
Rot. Bonds6

About ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate

ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate (PubChem CID 142863681) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate
PubChem CID142863681
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Nameethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)c2cc(-c3ccc(O)cc3)cs2)cc1
InChIInChI=1S/C21H19NO4S/c1-2-26-20(24)11-14-3-7-17(8-4-14)22-21(25)19-12-16(13-27-19)15-5-9-18(23)10-6-15/h3-10,12-13,23H,2,11H2,1H3,(H,22,25)
InChIKeyAMWZLOPWQYJVRJ-UHFFFAOYSA-N
XLogP4.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 10338959
ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
CID 25139319
ethyl 2-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]acetate
CID 76852556
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59420709
ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate
CID 23453048
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
[4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate
CID 89329547
ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]acetate
CID 124673407
(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
CID 8611518
ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate
CID 141266104
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672077

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate (CID 142863681) is ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)c2cc(-c3ccc(O)cc3)cs2)cc1.
What is the InChIKey of ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate?
The InChIKey is AMWZLOPWQYJVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-2-26-20(24)11-14-3-7-17(8-4-14)22-21(25)19-12-16(13-27-19)15-5-9-18(23)10-6-15/h3-10,12-13,23H,2,11H2,1H3,(H,22,25).
What are the key properties of ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate?
ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate has a molecular weight of 381.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 142863681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).