ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate

C18H21NO7S2 — CID 19434054

IUPACethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate
SMILESCCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1sccc1C1OCCO1
InChIInChI=1S/C18H21NO7S2/c1-3-24-16(20)12-19(13-5-4-6-14(11-13)23-2)28(21,22)18-15(7-10-27-18)17-25-8-9-26-17/h4-7,10-11,17H,3,8-9,12H2,1-2H3
InChIKeyCAZMROHGVXWKDT-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.56
Rot. Bonds8

About ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate

ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate (PubChem CID 19434054) has the molecular formula C18H21NO7S2 and a molecular weight of 427.50 g/mol. Its IUPAC name is ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate
PubChem CID19434054
Molecular FormulaC18H21NO7S2
Molecular Weight427.50 g/mol
Exact Mass427.08
IUPAC Nameethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate
SMILESCCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1sccc1C1OCCO1
InChIInChI=1S/C18H21NO7S2/c1-3-24-16(20)12-19(13-5-4-6-14(11-13)23-2)28(21,22)18-15(7-10-27-18)17-25-8-9-26-17/h4-7,10-11,17H,3,8-9,12H2,1-2H3
InChIKeyCAZMROHGVXWKDT-UHFFFAOYSA-N
XLogP2.56
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-(3-ethoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100551731
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate
CID 81265540
ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531336
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 43894224
methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891507
ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate
CID 10691967
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144112
2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide
CID 50891585
methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100551525

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate?
The IUPAC name of ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate (CID 19434054) is ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate.
What is the SMILES notation for ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate?
The canonical SMILES for ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate is CCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1sccc1C1OCCO1.
What is the InChIKey of ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate?
The InChIKey is CAZMROHGVXWKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO7S2/c1-3-24-16(20)12-19(13-5-4-6-14(11-13)23-2)28(21,22)18-15(7-10-27-18)17-25-8-9-26-17/h4-7,10-11,17H,3,8-9,12H2,1-2H3.
What are the key properties of ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate?
ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate has a molecular weight of 427.50 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-3-methoxyanilino)acetate is sourced from PubChem (CID 19434054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).