[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate

C20H30N2O5S — CID 16543429

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C20H30N2O5S/c1-3-4-5-15-6-8-16(9-7-15)20(24)27-14(2)19(23)22-17-10-12-18(13-11-17)28(21,25)26/h10-16H,3-9H2,1-2H3,(H,22,23)(H2,21,25,26)
InChIKeyWSUKTZXLOVXKDC-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.20
Rot. Bonds8

About [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate (PubChem CID 16543429) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate
PubChem CID16543429
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C20H30N2O5S/c1-3-4-5-15-6-8-16(9-7-15)20(24)27-14(2)19(23)22-17-10-12-18(13-11-17)28(21,25)26/h10-16H,3-9H2,1-2H3,(H,22,23)(H2,21,25,26)
InChIKeyWSUKTZXLOVXKDC-UHFFFAOYSA-N
XLogP3.20
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate
CID 7790407
[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate
CID 7863711
trans-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020391
[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopentanecarboxylate
CID 8020238
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46602948
[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2511050
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate
CID 2511069
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate
CID 42970369
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42903647
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 42898298
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate
CID 7211739
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate (CID 16543429) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate is CCCCC1CCC(C(=O)OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate?
The InChIKey is WSUKTZXLOVXKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-3-4-5-15-6-8-16(9-7-15)20(24)27-14(2)19(23)22-17-10-12-18(13-11-17)28(21,25)26/h10-16H,3-9H2,1-2H3,(H,22,23)(H2,21,25,26).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate has a molecular weight of 410.54 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 16543429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).