N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide

C23H31ClN4O3S — CID 5025746

IUPACN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN(C)C2CCN(C)CC2)c1
InChIInChI=1S/C23H31ClN4O3S/c1-4-28(19-8-6-5-7-9-19)32(30,31)20-10-11-21(24)22(16-20)25-23(29)17-27(3)18-12-14-26(2)15-13-18/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,25,29)
InChIKeyPASRFKUBAKATBD-UHFFFAOYSA-N
MW479.05 g/mol
LogP3.52
Rot. Bonds8

About N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide

N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide (PubChem CID 5025746) has the molecular formula C23H31ClN4O3S and a molecular weight of 479.05 g/mol. Its IUPAC name is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
PubChem CID5025746
Molecular FormulaC23H31ClN4O3S
Molecular Weight479.05 g/mol
Exact Mass478.18
IUPAC NameN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN(C)C2CCN(C)CC2)c1
InChIInChI=1S/C23H31ClN4O3S/c1-4-28(19-8-6-5-7-9-19)32(30,31)20-10-11-21(24)22(16-20)25-23(29)17-27(3)18-12-14-26(2)15-13-18/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,25,29)
InChIKeyPASRFKUBAKATBD-UHFFFAOYSA-N
XLogP3.52
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.05
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide
CID 4001201
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 4334044
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4788777
2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4847508
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid
CID 16243494
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide;oxalic acid
CID 16244711
N-[4-[[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]sulfamoyl]phenyl]acetamide
CID 16330427
N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 662555
2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-(2,4-difluorophenyl)acetamide
CID 3245716
N-[2-Chloro-4-(toluene-4-sulfonylamino)-phenyl]-2-piperidin-1-yl-acetamide
CID 1147316
4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide
CID 1485493
2-[Benzenesulfonyl-(4-chloro-phenyl)-amino]-N-ethyl-acetamide
CID 2271056

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide?
The IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide (CID 5025746) is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide?
The canonical SMILES for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN(C)C2CCN(C)CC2)c1.
What is the InChIKey of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide?
The InChIKey is PASRFKUBAKATBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O3S/c1-4-28(19-8-6-5-7-9-19)32(30,31)20-10-11-21(24)22(16-20)25-23(29)17-27(3)18-12-14-26(2)15-13-18/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,25,29).
What are the key properties of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide?
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide has a molecular weight of 479.05 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide is sourced from PubChem (CID 5025746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).