N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide

C17H32N4O4S — CID 33097709

IUPACN-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C17H32N4O4S/c1-17(2,3)16(23)18-14-15(22)19-10-12-21(13-11-19)26(24,25)20-8-6-4-5-7-9-20/h4-14H2,1-3H3,(H,18,23)
InChIKeyFBGBGMVURKXLTP-UHFFFAOYSA-N
MW388.53 g/mol
LogP0.41
Rot. Bonds4

About N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 33097709) has the molecular formula C17H32N4O4S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID33097709
Molecular FormulaC17H32N4O4S
Molecular Weight388.53 g/mol
Exact Mass388.21
IUPAC NameN-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C17H32N4O4S/c1-17(2,3)16(23)18-14-15(22)19-10-12-21(13-11-19)26(24,25)20-8-6-4-5-7-9-20/h4-14H2,1-3H3,(H,18,23)
InChIKeyFBGBGMVURKXLTP-UHFFFAOYSA-N
XLogP0.41
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 16599118
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 16599158
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(butylcarbamoyl)acetamide
CID 16599272
N-[2-(azepan-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 17646951
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 18137667
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 18142895
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-methylacetamide
CID 41312029
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-ethylacetamide
CID 41312033
1-[2-[(3R)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-yl]-2-oxoethyl]azepane
CID 42213956
1-[2-[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-yl]-2-oxoethyl]azepane
CID 42213960
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)azepane-1-sulfonamide
CID 43602806
N'-{[1-(1-azepanylacetyl)-3-piperidinyl]methyl}-N,N-dimethylsulfamide
CID 45236962

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide (CID 33097709) is N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is FBGBGMVURKXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O4S/c1-17(2,3)16(23)18-14-15(22)19-10-12-21(13-11-19)26(24,25)20-8-6-4-5-7-9-20/h4-14H2,1-3H3,(H,18,23).
What are the key properties of N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 388.53 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 33097709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).