[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate

C17H17ClN2O6S2 — CID 3893296

IUPAC[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESC1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CS3
InChIInChI=1S/C17H17ClN2O6S2/c18-13-4-3-12(28(23,24)20-5-7-25-8-6-20)10-14(13)19-16(21)11-26-17(22)15-2-1-9-27-15/h1-4,9-10H,5-8,11H2,(H,19,21)
InChIKeyQHGHWLCMSAMQGN-UHFFFAOYSA-N
MW444.90 g/mol
LogP2.10
Rot. Bonds7

About [2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate

[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 3893296) has the molecular formula C17H17ClN2O6S2 and a molecular weight of 444.90 g/mol. Its IUPAC name is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID3893296
Molecular FormulaC17H17ClN2O6S2
Molecular Weight444.90 g/mol
Exact Mass444.02
IUPAC Name[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESC1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CS3
InChIInChI=1S/C17H17ClN2O6S2/c18-13-4-3-12(28(23,24)20-5-7-25-8-6-20)10-14(13)19-16(21)11-26-17(22)15-2-1-9-27-15/h1-4,9-10H,5-8,11H2,(H,19,21)
InChIKeyQHGHWLCMSAMQGN-UHFFFAOYSA-N
XLogP2.10
TPSA139.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity665

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.90
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2-Chloroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4003394
4-(Morpholine-4-sulfonyl)-thiophene-2-carboxylic acid (2-chloro-phenyl)-amide
CID 1312252
[2-(2-Chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2552034
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4208851
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 4275413
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4330205
[2-(4-Chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4968483
[2-(2-Chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 724478
[2-[[2-(2-Chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2082531
[2-(2-Chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2531561
[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 3963140
[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 4081876

Frequently Asked Questions

What is the IUPAC name of [2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate (CID 3893296) is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate is C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CS3.
What is the InChIKey of [2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is QHGHWLCMSAMQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O6S2/c18-13-4-3-12(28(23,24)20-5-7-25-8-6-20)10-14(13)19-16(21)11-26-17(22)15-2-1-9-27-15/h1-4,9-10H,5-8,11H2,(H,19,21).
What are the key properties of [2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 444.90 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 3893296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).