N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C20H31N3O3S — CID 35418237

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCC1CCN(CCCNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H31N3O3S/c1-18-9-15-23(16-10-18)14-5-12-21-20(24)8-13-22-27(25,26)17-11-19-6-3-2-4-7-19/h2-4,6-7,11,17-18,22H,5,8-10,12-16H2,1H3,(H,21,24)/b17-11+
InChIKeyCVIUTTJGZRXYHJ-GZTJUZNOSA-N
MW393.55 g/mol
LogP2.20
Rot. Bonds10

About N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 35418237) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID35418237
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCC1CCN(CCCNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H31N3O3S/c1-18-9-15-23(16-10-18)14-5-12-21-20(24)8-13-22-27(25,26)17-11-19-6-3-2-4-7-19/h2-4,6-7,11,17-18,22H,5,8-10,12-16H2,1H3,(H,21,24)/b17-11+
InChIKeyCVIUTTJGZRXYHJ-GZTJUZNOSA-N
XLogP2.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-[[(E)-2-phenylethenyl]sulfonylamino]propanoylamino]ethyl]cyclohexanecarboxamide
CID 55854406
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 16589893
3-(2-aminophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 120612122
3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119952808
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826987
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide
CID 46506302
N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 35417013
N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 47888987
(E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide
CID 34105825
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 35418573
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-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 35418237) is N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is CC1CCN(CCCNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is CVIUTTJGZRXYHJ-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-18-9-15-23(16-10-18)14-5-12-21-20(24)8-13-22-27(25,26)17-11-19-6-3-2-4-7-19/h2-4,6-7,11,17-18,22H,5,8-10,12-16H2,1H3,(H,21,24)/b17-11+.
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 393.55 g/mol, XLogP of 2.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 35418237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).