N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide

C16H27N3O3S2 — CID 55528101

IUPACN,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide
SMILESCCc1sc(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)cc1C
InChIInChI=1S/C16H27N3O3S2/c1-5-14-13(4)12-15(23-14)16(20)17-8-10-19(11-9-17)24(21,22)18(6-2)7-3/h12H,5-11H2,1-4H3
InChIKeyRXLFUYUVQUCYCK-UHFFFAOYSA-N
MW373.54 g/mol
LogP1.96
Rot. Bonds6

About N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide

N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide (PubChem CID 55528101) has the molecular formula C16H27N3O3S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide
PubChem CID55528101
Molecular FormulaC16H27N3O3S2
Molecular Weight373.54 g/mol
Exact Mass373.15
IUPAC NameN,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide
SMILESCCc1sc(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)cc1C
InChIInChI=1S/C16H27N3O3S2/c1-5-14-13(4)12-15(23-14)16(20)17-8-10-19(11-9-17)24(21,22)18(6-2)7-3/h12H,5-11H2,1-4H3
InChIKeyRXLFUYUVQUCYCK-UHFFFAOYSA-N
XLogP1.96
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide (CID 55528101) is N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide is CCc1sc(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)cc1C.
What is the InChIKey of N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide?
The InChIKey is RXLFUYUVQUCYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S2/c1-5-14-13(4)12-15(23-14)16(20)17-8-10-19(11-9-17)24(21,22)18(6-2)7-3/h12H,5-11H2,1-4H3.
What are the key properties of N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide?
N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide has a molecular weight of 373.54 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 55528101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).