N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide

C24H29N3O3S — CID 60551693

IUPACN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCC(c2ccccc2)N2CCC(C)CC2)cc1
InChIInChI=1S/C24H29N3O3S/c1-3-15-26-31(29,30)22-11-9-21(10-12-22)24(28)25-18-23(20-7-5-4-6-8-20)27-16-13-19(2)14-17-27/h1,4-12,19,23,26H,13-18H2,2H3,(H,25,28)
InChIKeyGFSNYZKURIDNJG-UHFFFAOYSA-N
MW439.58 g/mol
LogP2.80
Rot. Bonds8

About N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide

N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 60551693) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID60551693
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCC(c2ccccc2)N2CCC(C)CC2)cc1
InChIInChI=1S/C24H29N3O3S/c1-3-15-26-31(29,30)22-11-9-21(10-12-22)24(28)25-18-23(20-7-5-4-6-8-20)27-16-13-19(2)14-17-27/h1,4-12,19,23,26H,13-18H2,2H3,(H,25,28)
InChIKeyGFSNYZKURIDNJG-UHFFFAOYSA-N
XLogP2.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 60551422
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 42937302
N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51334368
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 47068814
3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504560
4-(furan-2-ylmethylsulfamoyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 27800512
N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 78856021
N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297156
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 60551856
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55713803

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide (CID 60551693) is N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NCC(c2ccccc2)N2CCC(C)CC2)cc1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is GFSNYZKURIDNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-3-15-26-31(29,30)22-11-9-21(10-12-22)24(28)25-18-23(20-7-5-4-6-8-20)27-16-13-19(2)14-17-27/h1,4-12,19,23,26H,13-18H2,2H3,(H,25,28).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide?
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 439.58 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 60551693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).