N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide

C20H34N4O3S — CID 78877647

IUPACN-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
SMILESCC(C)CCCC(C)NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C20H34N4O3S/c1-16(2)5-4-6-17(3)22-20(25)15-23-11-13-24(14-12-23)18-7-9-19(10-8-18)28(21,26)27/h7-10,16-17H,4-6,11-15H2,1-3H3,(H,22,25)(H2,21,26,27)
InChIKeyISFCOYXBQWXZHN-UHFFFAOYSA-N
MW410.58 g/mol
LogP1.79
Rot. Bonds9

About N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide

N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide (PubChem CID 78877647) has the molecular formula C20H34N4O3S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
PubChem CID78877647
Molecular FormulaC20H34N4O3S
Molecular Weight410.58 g/mol
Exact Mass410.24
IUPAC NameN-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
SMILESCC(C)CCCC(C)NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C20H34N4O3S/c1-16(2)5-4-6-17(3)22-20(25)15-23-11-13-24(14-12-23)18-7-9-19(10-8-18)28(21,26)27/h7-10,16-17H,4-6,11-15H2,1-3H3,(H,22,25)(H2,21,26,27)
InChIKeyISFCOYXBQWXZHN-UHFFFAOYSA-N
XLogP1.79
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylphenyl)propanamide
CID 32648505
N-(2-ethyl-6-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78896380
4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 78877654
2-(4-aminopiperidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 43556882
N-(4-chloro-2-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78897256
N-(2,3-dimethylphenyl)-2-[4-[2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8694764
4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171996432
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2109300
2-[4-(4-sulfamoylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500983
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide
CID 120847656
4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171995786

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide (CID 78877647) is N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide is CC(C)CCCC(C)NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide?
The InChIKey is ISFCOYXBQWXZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3S/c1-16(2)5-4-6-17(3)22-20(25)15-23-11-13-24(14-12-23)18-7-9-19(10-8-18)28(21,26)27/h7-10,16-17H,4-6,11-15H2,1-3H3,(H,22,25)(H2,21,26,27).
What are the key properties of N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide?
N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide has a molecular weight of 410.58 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78877647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).