2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide

C19H26ClN3O3S — CID 78822124

IUPAC2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H26ClN3O3S/c1-3-10-22(11-4-2)15-19(24)21-16-8-9-17(20)18(14-16)27(25,26)23-12-6-5-7-13-23/h3-4,8-9,14H,1-2,5-7,10-13,15H2,(H,21,24)
InChIKeyMUGCEWDDJRPAPW-UHFFFAOYSA-N
MW411.96 g/mol
LogP3.13
Rot. Bonds9

About 2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide

2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 78822124) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID78822124
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC Name2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H26ClN3O3S/c1-3-10-22(11-4-2)15-19(24)21-16-8-9-17(20)18(14-16)27(25,26)23-12-6-5-7-13-23/h3-4,8-9,14H,1-2,5-7,10-13,15H2,(H,21,24)
InChIKeyMUGCEWDDJRPAPW-UHFFFAOYSA-N
XLogP3.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 26648872
2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78793369
2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 54818050
2-tert-butylsulfanyl-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 78769070
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8623314
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 112802201
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 17491419
N-[4-(4-chloro-3-pyrrolidin-1-ylsulfonylanilino)-4-oxobutyl]benzamide
CID 55364568
4-chloro-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 33292387
2-[(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974405
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylpyrrole-2-carboxamide
CID 9103361
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 4882272

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 78822124) is 2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide is C=CCN(CC=C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is MUGCEWDDJRPAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3S/c1-3-10-22(11-4-2)15-19(24)21-16-8-9-17(20)18(14-16)27(25,26)23-12-6-5-7-13-23/h3-4,8-9,14H,1-2,5-7,10-13,15H2,(H,21,24).
What are the key properties of 2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 411.96 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 78822124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).