N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide

C23H35N3O4S — CID 92506331

IUPACN-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1
InChIInChI=1S/C23H35N3O4S/c1-16-12-17(2)15-26(14-16)23(28)20-6-4-19(5-7-20)13-24-31(29,30)22-10-8-21(9-11-22)25-18(3)27/h8-11,16-17,19-20,24H,4-7,12-15H2,1-3H3,(H,25,27)/t16-,17-,19?,20?/m0/s1
InChIKeyPWGPTGRFAKTGHH-BEEJXANESA-N
MW449.62 g/mol
LogP3.23
Rot. Bonds6

About N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide

N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide (PubChem CID 92506331) has the molecular formula C23H35N3O4S and a molecular weight of 449.62 g/mol. Its IUPAC name is N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide
PubChem CID92506331
Molecular FormulaC23H35N3O4S
Molecular Weight449.62 g/mol
Exact Mass449.23
IUPAC NameN-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1
InChIInChI=1S/C23H35N3O4S/c1-16-12-17(2)15-26(14-16)23(28)20-6-4-19(5-7-20)13-24-31(29,30)22-10-8-21(9-11-22)25-18(3)27/h8-11,16-17,19-20,24H,4-7,12-15H2,1-3H3,(H,25,27)/t16-,17-,19?,20?/m0/s1
InChIKeyPWGPTGRFAKTGHH-BEEJXANESA-N
XLogP3.23
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166195615
N-[4-[(3-hydroxycyclopentyl)methylsulfamoyl]phenyl]acetamide
CID 103270149
N-[4-[[1-(2-methylpropyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide
CID 110291740
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645
(2S)-N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-hydroxypropanamide
CID 167949883
2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887477
N-[4-[[(2R,4S,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 162888975
1-acetyl-2-methyl-N-[[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 20903291
N-[4-[[(2R,4S,5S)-5-ethynyl-1-azabicyclo[2.2.2]octan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 11943416
1-[[4-(cyclopropylmethylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085695
N-[4-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylsulfamoyl]phenyl]acetamide
CID 7309353
N-[4-(cyclopropylmethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 119287751

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide (CID 92506331) is N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1.
What is the InChIKey of N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide?
The InChIKey is PWGPTGRFAKTGHH-BEEJXANESA-N. The full InChI is InChI=1S/C23H35N3O4S/c1-16-12-17(2)15-26(14-16)23(28)20-6-4-19(5-7-20)13-24-31(29,30)22-10-8-21(9-11-22)25-18(3)27/h8-11,16-17,19-20,24H,4-7,12-15H2,1-3H3,(H,25,27)/t16-,17-,19?,20?/m0/s1.
What are the key properties of N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide?
N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide has a molecular weight of 449.62 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexyl]methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 92506331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).