N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide

C20H32N3O3S+ — CID 6972133

IUPACN-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@H]1CCC[NH+](CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C1
InChIInChI=1S/C20H31N3O3S/c1-16-6-5-13-23(14-16)15-20(24)21-17-9-11-19(12-10-17)27(25,26)22-18-7-3-2-4-8-18/h9-12,16,18,22H,2-8,13-15H2,1H3,(H,21,24)/p+1/t16-/m0/s1
InChIKeyDNKIFNPZZCGATF-INIZCTEOSA-O
MW394.56 g/mol
LogP1.55
Rot. Bonds6

About N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide

N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 6972133) has the molecular formula C20H32N3O3S+ and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID6972133
Molecular FormulaC20H32N3O3S+
Molecular Weight394.56 g/mol
Exact Mass394.22
IUPAC NameN-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@H]1CCC[NH+](CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C1
InChIInChI=1S/C20H31N3O3S/c1-16-6-5-13-23(14-16)15-20(24)21-17-9-11-19(12-10-17)27(25,26)22-18-7-3-2-4-8-18/h9-12,16,18,22H,2-8,13-15H2,1H3,(H,21,24)/p+1/t16-/m0/s1
InChIKeyDNKIFNPZZCGATF-INIZCTEOSA-O
XLogP1.55
TPSA79.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7434576
N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 7436765
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 7116551
N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681839
N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 1166743
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6941185
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8903503
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8903505
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide (CID 6972133) is N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide is C[C@H]1CCC[NH+](CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C1.
What is the InChIKey of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is DNKIFNPZZCGATF-INIZCTEOSA-O. The full InChI is InChI=1S/C20H31N3O3S/c1-16-6-5-13-23(14-16)15-20(24)21-17-9-11-19(12-10-17)27(25,26)22-18-7-3-2-4-8-18/h9-12,16,18,22H,2-8,13-15H2,1H3,(H,21,24)/p+1/t16-/m0/s1.
What are the key properties of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 394.56 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 6972133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).