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

C20H31N3O3S — CID 1166743

IUPACN-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCN(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)/t16-/m1/s1
InChIKeyDNKIFNPZZCGATF-MRXNPFEDSA-N
MW393.55 g/mol
LogP2.97
Rot. Bonds6

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

N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide (PubChem CID 1166743) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
PubChem CID1166743
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCN(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)/t16-/m1/s1
InChIKeyDNKIFNPZZCGATF-MRXNPFEDSA-N
XLogP2.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 1152741
N-[4-(diethylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681860
N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16779145
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6914795
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 22197766
1-[4-(cyclopentylsulfamoyl)phenyl]-3-(1-ethylpiperidin-3-yl)urea
CID 119045061
N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 6972133
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 163352401
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006520

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide (CID 1166743) is N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide is C[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C1.
What is the InChIKey of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is DNKIFNPZZCGATF-MRXNPFEDSA-N. 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)/t16-/m1/s1.
What are the key properties of N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 393.55 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 1166743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).