4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide

C17H27N3O4S — CID 110805042

IUPAC4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOc1ccc(C(C)C)cc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C17H27N3O4S/c1-13(2)14-6-7-16(24-5)15(12-14)17(21)19-8-10-20(11-9-19)25(22,23)18(3)4/h6-7,12-13H,8-11H2,1-5H3
InChIKeyGHKLUCUIBWUOQB-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.38
Rot. Bonds5

About 4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 110805042) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID110805042
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOc1ccc(C(C)C)cc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C17H27N3O4S/c1-13(2)14-6-7-16(24-5)15(12-14)17(21)19-8-10-20(11-9-19)25(22,23)18(3)4/h6-7,12-13H,8-11H2,1-5H3
InChIKeyGHKLUCUIBWUOQB-UHFFFAOYSA-N
XLogP1.38
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-5-methylbenzoyl)-N,N-dimethyl-1,4-diazepane-1-sulfonamide
CID 110810350
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110800214
4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 33007439
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801424
[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803045
4-(5-chloro-4-iodo-2-methoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 46412003
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110805992
4-(3-fluoro-4-methoxybenzoyl)-N,N-dimethyl-1,4-diazepane-1-sulfonamide
CID 110810353
4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32504642
4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide
CID 61140082
N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide
CID 108568945
(4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone
CID 110804708

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 110805042) is 4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide is COc1ccc(C(C)C)cc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is GHKLUCUIBWUOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-13(2)14-6-7-16(24-5)15(12-14)17(21)19-8-10-20(11-9-19)25(22,23)18(3)4/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of 4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 110805042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).