N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide

C21H27N3O3S — CID 10621090

IUPACN-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C21H27N3O3S/c1-16(19-7-3-4-8-20(19)24-13-5-2-6-14-24)23-21(25)15-17-9-11-18(12-10-17)28(22,26)27/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyKKTFYRIUFYETLC-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.74
Rot. Bonds6

About N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide

N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 10621090) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID10621090
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C21H27N3O3S/c1-16(19-7-3-4-8-20(19)24-13-5-2-6-14-24)23-21(25)15-17-9-11-18(12-10-17)28(22,26)27/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyKKTFYRIUFYETLC-UHFFFAOYSA-N
XLogP2.74
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzamide
CID 54161332
4-[2-[1-[2-(azonan-1-yl)phenyl]ethylamino]-2-oxoethyl]benzoic acid
CID 10501610
4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride
CID 88722000
ethyl 4-[2-[1-[2-(azepan-1-yl)phenyl]ethylamino]-2-oxoethyl]benzoate
CID 10549439
2-methyl-2-[4-[2-oxo-2-[[(1S)-1-(2-piperidin-1-ylphenyl)ethyl]amino]ethyl]phenoxy]propanoic acid
CID 58625212
3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid
CID 10595062
2-(4-hydroxyphenyl)-N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]acetamide
CID 97225853
2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid
CID 54544553
4-[2-[[(4-methoxyphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 13281042
2-methyl-2-[4-[2-[[3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]phenoxy]-N-methylsulfonylpropanamide
CID 58625265
ethyl 4-[2-oxo-2-[1-(5-phenylmethoxy-2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoate
CID 70418244
ethyl 4-[2-[[(4-fluorophenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoate
CID 13281046

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide (CID 10621090) is N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide is CC(NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1ccccc1N1CCCCC1.
What is the InChIKey of N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is KKTFYRIUFYETLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-16(19-7-3-4-8-20(19)24-13-5-2-6-14-24)23-21(25)15-17-9-11-18(12-10-17)28(22,26)27/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide?
N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 401.53 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 10621090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).