N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide

C20H29N3O4S — CID 55854406

IUPACN-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide
SMILESO=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCCNC(=O)C1CCCCC1
InChIInChI=1S/C20H29N3O4S/c24-19(21-14-15-22-20(25)18-9-5-2-6-10-18)11-13-23-28(26,27)16-12-17-7-3-1-4-8-17/h1,3-4,7-8,12,16,18,23H,2,5-6,9-11,13-15H2,(H,21,24)(H,22,25)/b16-12+
InChIKeyDIRHZAIVTIAZFK-FOWTUZBSSA-N
MW407.54 g/mol
LogP1.78
Rot. Bonds10

About N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide

N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide (PubChem CID 55854406) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide
PubChem CID55854406
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide
SMILESO=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCCNC(=O)C1CCCCC1
InChIInChI=1S/C20H29N3O4S/c24-19(21-14-15-22-20(25)18-9-5-2-6-10-18)11-13-23-28(26,27)16-12-17-7-3-1-4-8-17/h1,3-4,7-8,12,16,18,23H,2,5-6,9-11,13-15H2,(H,21,24)(H,22,25)/b16-12+
InChIKeyDIRHZAIVTIAZFK-FOWTUZBSSA-N
XLogP1.78
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 35418237
N-(1-benzylpiperidin-3-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55655606
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32968682
N-(4-bromo-2-hydroxyphenyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 60513205
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 16589893
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]cyclohexanecarboxamide
CID 108538961
N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 9273061
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51165684
N-(1H-benzimidazol-2-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 27649780
3-[[(E)-2-phenylethenyl]sulfonylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 30395262
(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55637211

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide (CID 55854406) is N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide is O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCCNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide?
The InChIKey is DIRHZAIVTIAZFK-FOWTUZBSSA-N. The full InChI is InChI=1S/C20H29N3O4S/c24-19(21-14-15-22-20(25)18-9-5-2-6-10-18)11-13-23-28(26,27)16-12-17-7-3-1-4-8-17/h1,3-4,7-8,12,16,18,23H,2,5-6,9-11,13-15H2,(H,21,24)(H,22,25)/b16-12+.
What are the key properties of N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide?
N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide has a molecular weight of 407.54 g/mol, XLogP of 1.78, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 55854406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).