[2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate

C20H24N2O5S2 — CID 2347107

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)NCC1CCCCC1
InChIInChI=1S/C20H24N2O5S2/c23-18(21-13-15-5-2-1-3-6-15)14-27-20(24)16-8-10-17(11-9-16)22-29(25,26)19-7-4-12-28-19/h4,7-12,15,22H,1-3,5-6,13-14H2,(H,21,23)
InChIKeyPEYYPVJDIOOUCS-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.40
Rot. Bonds8

About [2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate

[2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 2347107) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID2347107
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)NCC1CCCCC1
InChIInChI=1S/C20H24N2O5S2/c23-18(21-13-15-5-2-1-3-6-15)14-27-20(24)16-8-10-17(11-9-16)22-29(25,26)19-7-4-12-28-19/h4,7-12,15,22H,1-3,5-6,13-14H2,(H,21,23)
InChIKeyPEYYPVJDIOOUCS-UHFFFAOYSA-N
XLogP3.40
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate with MolForge

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Related Compounds

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2463276
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2642115
[2-(4-nitroanilino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 4255164
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 25046956
N-[4-(cyclohexylamino)phenyl]thiophene-2-sulfonamide
CID 112980784
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7373516
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 4186820
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25038628
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603569
(2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate
CID 3519185
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 25037242
(3-nitrophenyl)methyl 4-(thiophen-2-ylsulfonylamino)benzoate
CID 4309951

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate (CID 2347107) is [2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate is O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is PEYYPVJDIOOUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c23-18(21-13-15-5-2-1-3-6-15)14-27-20(24)16-8-10-17(11-9-16)22-29(25,26)19-7-4-12-28-19/h4,7-12,15,22H,1-3,5-6,13-14H2,(H,21,23).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 436.56 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 2347107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).