[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate

C16H22N2O7S3 — CID 27936684

IUPAC[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C16H22N2O7S3/c17-28(23,24)15-7-11(9-26-15)16(20)25-8-14(19)18(12-3-1-2-4-12)13-5-6-27(21,22)10-13/h7,9,12-13H,1-6,8,10H2,(H2,17,23,24)/t13-/m0/s1
InChIKeyWWVIWOJKDZENPJ-ZDUSSCGKSA-N
MW450.56 g/mol
LogP0.51
Rot. Bonds6

About [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate

[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate (PubChem CID 27936684) has the molecular formula C16H22N2O7S3 and a molecular weight of 450.56 g/mol. Its IUPAC name is [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
PubChem CID27936684
Molecular FormulaC16H22N2O7S3
Molecular Weight450.56 g/mol
Exact Mass450.06
IUPAC Name[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cs1
InChIInChI=1S/C16H22N2O7S3/c17-28(23,24)15-7-11(9-26-15)16(20)25-8-14(19)18(12-3-1-2-4-12)13-5-6-27(21,22)10-13/h7,9,12-13H,1-6,8,10H2,(H2,17,23,24)/t13-/m0/s1
InChIKeyWWVIWOJKDZENPJ-ZDUSSCGKSA-N
XLogP0.51
TPSA140.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7889742
[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-aminobenzoate
CID 9045623
[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 43031852
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7478334
[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-bromobenzoate
CID 42978566
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 51482736
[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 16563833
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-hydroxybenzoate
CID 7890733
[2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9416033
[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9416038
[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-aminobenzoate
CID 9045647
[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-hydroxybenzoate
CID 7696336

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate (CID 27936684) is [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate is NS(=O)(=O)c1cc(C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cs1.
What is the InChIKey of [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is WWVIWOJKDZENPJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O7S3/c17-28(23,24)15-7-11(9-26-15)16(20)25-8-14(19)18(12-3-1-2-4-12)13-5-6-27(21,22)10-13/h7,9,12-13H,1-6,8,10H2,(H2,17,23,24)/t13-/m0/s1.
What are the key properties of [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 450.56 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 27936684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).