methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate

C20H19NO4S2 — CID 67521124

IUPACmethyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate
SMILESCCc1ccccc1-c1cccc(S(=O)(=O)Nc2ccsc2C(=O)OC)c1
InChIInChI=1S/C20H19NO4S2/c1-3-14-7-4-5-10-17(14)15-8-6-9-16(13-15)27(23,24)21-18-11-12-26-19(18)20(22)25-2/h4-13,21H,3H2,1-2H3
InChIKeyKKFWIYYVMRUZNR-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.56
Rot. Bonds6

About methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate

methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate (PubChem CID 67521124) has the molecular formula C20H19NO4S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate
PubChem CID67521124
Molecular FormulaC20H19NO4S2
Molecular Weight401.51 g/mol
Exact Mass401.08
IUPAC Namemethyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate
SMILESCCc1ccccc1-c1cccc(S(=O)(=O)Nc2ccsc2C(=O)OC)c1
InChIInChI=1S/C20H19NO4S2/c1-3-14-7-4-5-10-17(14)15-8-6-9-16(13-15)27(23,24)21-18-11-12-26-19(18)20(22)25-2/h4-13,21H,3H2,1-2H3
InChIKeyKKFWIYYVMRUZNR-UHFFFAOYSA-N
XLogP4.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(2-propoxyphenyl)phenyl]sulfonylamino]thiophene-2-carboxylic acid
CID 25183652
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate
CID 47309729
methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate
CID 2808375
methyl 2-hydroxy-4-[[3-[2-(hydroxymethyl)phenyl]phenyl]sulfonylamino]benzoate
CID 71611200
methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 43624372
methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 30713838
methyl 2-[[3-(benzenesulfonamido)thiophene-2-carbonyl]amino]acetate
CID 19427368
methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate
CID 39828527
methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate
CID 114811453
methyl 3-[(2,5-difluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 6469470

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate (CID 67521124) is methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate is CCc1ccccc1-c1cccc(S(=O)(=O)Nc2ccsc2C(=O)OC)c1.
What is the InChIKey of methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate?
The InChIKey is KKFWIYYVMRUZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S2/c1-3-14-7-4-5-10-17(14)15-8-6-9-16(13-15)27(23,24)21-18-11-12-26-19(18)20(22)25-2/h4-13,21H,3H2,1-2H3.
What are the key properties of methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate?
methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate has a molecular weight of 401.51 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 67521124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).