[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate

C19H24N2O7S3 — CID 39977010

IUPAC[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1
InChIInChI=1S/C19H24N2O7S3/c1-3-11-31(26,27)21-15-6-4-5-14(12-15)19(23)28-13-17(22)18-8-7-16(29-18)9-10-20-30(2,24)25/h4-8,12,20-21H,3,9-11,13H2,1-2H3
InChIKeyMDDHVNVPKMHODQ-UHFFFAOYSA-N
MW488.61 g/mol
LogP2.03
Rot. Bonds12

About [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate

[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate (PubChem CID 39977010) has the molecular formula C19H24N2O7S3 and a molecular weight of 488.61 g/mol. Its IUPAC name is [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate.

Molecular Properties

Compound Name[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate
PubChem CID39977010
Molecular FormulaC19H24N2O7S3
Molecular Weight488.61 g/mol
Exact Mass488.07
IUPAC Name[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1
InChIInChI=1S/C19H24N2O7S3/c1-3-11-31(26,27)21-15-6-4-5-14(12-15)19(23)28-13-17(22)18-8-7-16(29-18)9-10-20-30(2,24)25/h4-8,12,20-21H,3,9-11,13H2,1-2H3
InChIKeyMDDHVNVPKMHODQ-UHFFFAOYSA-N
XLogP2.03
TPSA135.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 27353986
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 55448822
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate
CID 75386503
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 26967786
[2-(4-chloroanilino)-2-oxoethyl] 3-(propylsulfonylamino)benzoate
CID 55552969
(2-oxo-2-piperidin-1-ylethyl) 3-(propylsulfonylamino)benzoate
CID 55553184
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(propylsulfonylamino)benzoate
CID 55553637
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 27313704
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate
CID 51933163
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] adamantane-2-carboxylate
CID 55449045
N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 55450165
[2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate
CID 46648550

Frequently Asked Questions

What is the IUPAC name of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate?
The IUPAC name of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate (CID 39977010) is [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate.
What is the SMILES notation for [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate?
The canonical SMILES for [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate is CCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1.
What is the InChIKey of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate?
The InChIKey is MDDHVNVPKMHODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O7S3/c1-3-11-31(26,27)21-15-6-4-5-14(12-15)19(23)28-13-17(22)18-8-7-16(29-18)9-10-20-30(2,24)25/h4-8,12,20-21H,3,9-11,13H2,1-2H3.
What are the key properties of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate?
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate has a molecular weight of 488.61 g/mol, XLogP of 2.03, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate is sourced from PubChem (CID 39977010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).