2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

C20H29N3O3S — CID 78793369

IUPAC2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C20H29N3O3S/c1-4-11-22(12-5-2)16-20(24)21-19-15-18(10-9-17(19)3)27(25,26)23-13-7-6-8-14-23/h4-5,9-10,15H,1-2,6-8,11-14,16H2,3H3,(H,21,24)
InChIKeyMRTZPCGOPRIJGC-UHFFFAOYSA-N
MW391.54 g/mol
LogP2.78
Rot. Bonds9

About 2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 78793369) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID78793369
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Name2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C20H29N3O3S/c1-4-11-22(12-5-2)16-20(24)21-19-15-18(10-9-17(19)3)27(25,26)23-13-7-6-8-14-23/h4-5,9-10,15H,1-2,6-8,11-14,16H2,3H3,(H,21,24)
InChIKeyMRTZPCGOPRIJGC-UHFFFAOYSA-N
XLogP2.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.78
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-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 31477878
2-[(4-cyanophenyl)methyl-propylamino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55843360
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440
2-(cyclopentylamino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4135329
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4796983
2-(2-fluorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798645
2-[bis(prop-2-enyl)amino]-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 78822124
3-(furan-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26524387
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4810865
2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 8583454

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 78793369) is 2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is C=CCN(CC=C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is MRTZPCGOPRIJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-4-11-22(12-5-2)16-20(24)21-19-15-18(10-9-17(19)3)27(25,26)23-13-7-6-8-14-23/h4-5,9-10,15H,1-2,6-8,11-14,16H2,3H3,(H,21,24).
What are the key properties of 2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 391.54 g/mol, XLogP of 2.78, 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-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 78793369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).