N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide

C16H19N3O5S2 — CID 112994626

IUPACN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C16H19N3O5S2/c1-12-4-5-15(25-12)26(22,23)17-11-14(20)18-6-8-19(9-7-18)16(21)13-3-2-10-24-13/h2-5,10,17H,6-9,11H2,1H3
InChIKeyQYYCHTGKCZETJR-UHFFFAOYSA-N
MW397.48 g/mol
LogP0.91
Rot. Bonds5

About N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 112994626) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide
PubChem CID112994626
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C16H19N3O5S2/c1-12-4-5-15(25-12)26(22,23)17-11-14(20)18-6-8-19(9-7-18)16(21)13-3-2-10-24-13/h2-5,10,17H,6-9,11H2,1H3
InChIKeyQYYCHTGKCZETJR-UHFFFAOYSA-N
XLogP0.91
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 47139078
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110295756
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 112994595
N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 24682710
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 110397722
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004649
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004698
N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 110807717
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-methylthiophene-2-sulfonamide
CID 7498873

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide (CID 112994626) is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)s1.
What is the InChIKey of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is QYYCHTGKCZETJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-12-4-5-15(25-12)26(22,23)17-11-14(20)18-6-8-19(9-7-18)16(21)13-3-2-10-24-13/h2-5,10,17H,6-9,11H2,1H3.
What are the key properties of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide?
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 397.48 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 112994626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).