N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

C17H21N3O3S2 — CID 7359926

IUPACN-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H21N3O3S2/c1-18(25(22,23)17-8-5-13-24-17)14-16(21)20-11-9-19(10-12-20)15-6-3-2-4-7-15/h2-8,13H,9-12,14H2,1H3
InChIKeyKSRBTWDRLLKNAC-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.72
Rot. Bonds5

About N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 7359926) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID7359926
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H21N3O3S2/c1-18(25(22,23)17-8-5-13-24-17)14-16(21)20-11-9-19(10-12-20)15-6-3-2-4-7-15/h2-8,13H,9-12,14H2,1H3
InChIKeyKSRBTWDRLLKNAC-UHFFFAOYSA-N
XLogP1.72
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 7359926) is N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is CN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is KSRBTWDRLLKNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-18(25(22,23)17-8-5-13-24-17)14-16(21)20-11-9-19(10-12-20)15-6-3-2-4-7-15/h2-8,13H,9-12,14H2,1H3.
What are the key properties of N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 379.51 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 7359926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).