4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide

C14H21N3O4S — CID 110346706

IUPAC4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide
SMILESCOCCS(=O)(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H21N3O4S/c1-21-11-12-22(19,20)17-9-7-16(8-10-17)14(18)15-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,15,18)
InChIKeyMPOYITGYMWDTPZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.81
Rot. Bonds5

About 4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide

4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 110346706) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide
PubChem CID110346706
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide
SMILESCOCCS(=O)(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H21N3O4S/c1-21-11-12-22(19,20)17-9-7-16(8-10-17)14(18)15-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,15,18)
InChIKeyMPOYITGYMWDTPZ-UHFFFAOYSA-N
XLogP0.81
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
CID 110637841
4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
CID 110637840
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
methyl 4-(2-phenylethylsulfonyl)piperazine-1-carboxylate
CID 110818523
N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
CID 51102257
N-tert-butyl-4-(2-phenylethylsulfonyl)piperazine-1-carboxamide
CID 110811178
4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide
CID 91913194
N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55697487
4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide
CID 110290209
N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 51118836
methyl 4-(2-phenylethylsulfonyl)-1,4-diazepane-1-carboxylate
CID 110799069
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide (CID 110346706) is 4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide is COCCS(=O)(=O)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is MPOYITGYMWDTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-21-11-12-22(19,20)17-9-7-16(8-10-17)14(18)15-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,15,18).
What are the key properties of 4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide?
4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfonyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110346706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).