N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide

C18H29N3O4S — CID 108568945

IUPACN,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C18H29N3O4S/c1-14(2)16-6-8-17(9-7-16)25-15(3)18(22)20-10-12-21(13-11-20)26(23,24)19(4)5/h6-9,14-15H,10-13H2,1-5H3
InChIKeyLITGWDAILWSGCP-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.53
Rot. Bonds6

About N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide

N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide (PubChem CID 108568945) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide
PubChem CID108568945
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC NameN,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C18H29N3O4S/c1-14(2)16-6-8-17(9-7-16)25-15(3)18(22)20-10-12-21(13-11-20)26(23,24)19(4)5/h6-9,14-15H,10-13H2,1-5H3
InChIKeyLITGWDAILWSGCP-UHFFFAOYSA-N
XLogP1.53
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108568972
2-methyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108546843
2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one
CID 108536039
4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide
CID 55493812
1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]pentane-1,4-dione
CID 108536062
2-(4-hydroxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 108568120
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108536065
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108533738
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108534785
(2S)-2-(4-propan-2-ylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 42562844
1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108546840

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide (CID 108568945) is N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide is CC(Oc1ccc(C(C)C)cc1)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide?
The InChIKey is LITGWDAILWSGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-14(2)16-6-8-17(9-7-16)25-15(3)18(22)20-10-12-21(13-11-20)26(23,24)19(4)5/h6-9,14-15H,10-13H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide?
N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide has a molecular weight of 383.51 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide is sourced from PubChem (CID 108568945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).