2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide

C22H26N2O3S — CID 55551276

IUPAC2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1
InChIInChI=1S/C22H26N2O3S/c1-3-14-24(19-10-6-4-7-11-19)22(25)21-17-20(13-12-18(21)2)28(26,27)23-15-8-5-9-16-23/h3-4,6-7,10-13,17H,1,5,8-9,14-16H2,2H3
InChIKeyGTMFONNZJDJPAY-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.00
Rot. Bonds6

About 2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide

2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide (PubChem CID 55551276) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
PubChem CID55551276
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1
InChIInChI=1S/C22H26N2O3S/c1-3-14-24(19-10-6-4-7-11-19)22(25)21-17-20(13-12-18(21)2)28(26,27)23-15-8-5-9-16-23/h3-4,6-7,10-13,17H,1,5,8-9,14-16H2,2H3
InChIKeyGTMFONNZJDJPAY-UHFFFAOYSA-N
XLogP4.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
CID 55347248
N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 43021987
2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706661
2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid
CID 119194905
3-[ethyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119191193
N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 99144006
N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 55363381
2-methyl-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982783
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
N-[(4-bromophenyl)methyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 31145350
2-[bis(prop-2-enyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78793369
2-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26677034

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide?
The IUPAC name of 2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide (CID 55551276) is 2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide?
The canonical SMILES for 2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccccc1.
What is the InChIKey of 2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide?
The InChIKey is GTMFONNZJDJPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-3-14-24(19-10-6-4-7-11-19)22(25)21-17-20(13-12-18(21)2)28(26,27)23-15-8-5-9-16-23/h3-4,6-7,10-13,17H,1,5,8-9,14-16H2,2H3.
What are the key properties of 2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide?
2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide has a molecular weight of 398.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 55551276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).