N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

C15H21N3O5S — CID 108535322

IUPACN-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCOCC(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H21N3O5S/c1-23-11-14(19)17-7-9-18(10-8-17)15(20)12-3-5-13(6-4-12)16-24(2,21)22/h3-6,16H,7-11H2,1-2H3
InChIKeyUHHWAONPTAYXBK-UHFFFAOYSA-N
MW355.42 g/mol
LogP-0.01
Rot. Bonds5

About N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 108535322) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID108535322
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC NameN-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCOCC(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H21N3O5S/c1-23-11-14(19)17-7-9-18(10-8-17)15(20)12-3-5-13(6-4-12)16-24(2,21)22/h3-6,16H,7-11H2,1-2H3
InChIKeyUHHWAONPTAYXBK-UHFFFAOYSA-N
XLogP-0.01
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301
N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 60956881
prop-2-enyl 4-[4-(methanesulfonamido)benzoyl]piperazine-1-carboxylate
CID 108568479
N-[4-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 32641762
N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide
CID 7029961
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557729
4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 108568463
benzyl 4-[4-(methanesulfonamido)benzoyl]piperazine-1-carboxylate
CID 108568481
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108544814
N-[4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 42087714
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 17200401
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 108537013

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (CID 108535322) is N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is COCC(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is UHHWAONPTAYXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-23-11-14(19)17-7-9-18(10-8-17)15(20)12-3-5-13(6-4-12)16-24(2,21)22/h3-6,16H,7-11H2,1-2H3.
What are the key properties of N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 355.42 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 108535322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).