[2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate

C19H22N2O5S2 — CID 2386323

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)NC1CCCCC1
InChIInChI=1S/C19H22N2O5S2/c22-17(20-14-7-2-1-3-8-14)13-26-19(23)15-9-4-5-10-16(15)21-28(24,25)18-11-6-12-27-18/h4-6,9-12,14,21H,1-3,7-8,13H2,(H,20,22)
InChIKeyJWUYEOWKOMTYAL-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.15
Rot. Bonds7

About [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate

[2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 2386323) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID2386323
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)NC1CCCCC1
InChIInChI=1S/C19H22N2O5S2/c22-17(20-14-7-2-1-3-8-14)13-26-19(23)15-9-4-5-10-16(15)21-28(24,25)18-11-6-12-27-18/h4-6,9-12,14,21H,1-3,7-8,13H2,(H,20,22)
InChIKeyJWUYEOWKOMTYAL-UHFFFAOYSA-N
XLogP3.15
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 16287066
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2527188
[2-(2-Methylpropylamino)-2-oxoethyl] 4-[(2-methylphenyl)sulfamoyl]benzoate
CID 2540963
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 2997824
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-anilinobenzoate
CID 2998312
2-{[4-(Morpholine-4-sulfonyl)-thiophene-2-carbonyl]-amino}-benzoic acid
CID 3146253
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 3477046
2-(Thiophen-2-ylsulfonylamino)benzoic acid [2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester
CID 3540946
[2-[(1,1-Dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 3947072
ethyl 3-(4-(N,N-bis(2-methoxyethyl)sulfamoyl)benzamido)-5-phenylthiophene-2-carboxylate
CID 4048244
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 4272444
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 4832077

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate (CID 2386323) is [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate is O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is JWUYEOWKOMTYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c22-17(20-14-7-2-1-3-8-14)13-26-19(23)15-9-4-5-10-16(15)21-28(24,25)18-11-6-12-27-18/h4-6,9-12,14,21H,1-3,7-8,13H2,(H,20,22).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 422.53 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 2386323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).