(3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C14H16N2O4S2 — CID 17410586

IUPAC(3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H16N2O4S2/c1-11-4-9-20-13(11)14(17)15-5-7-16(8-6-15)22(18,19)12-3-2-10-21-12/h2-4,9-10H,5-8H2,1H3
InChIKeyNEDJCMWDQZFRJD-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.80
Rot. Bonds3

About (3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 17410586) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID17410586
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name(3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H16N2O4S2/c1-11-4-9-20-13(11)14(17)15-5-7-16(8-6-15)22(18,19)12-3-2-10-21-12/h2-4,9-10H,5-8H2,1H3
InChIKeyNEDJCMWDQZFRJD-UHFFFAOYSA-N
XLogP1.80
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
(4,5-dimethylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17024355
(2,5-dimethylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 8924469
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 27231569
(4-methylphenyl)-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798322
1-[4-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 34401527
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148460
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4785102
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
N-[4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 42087714

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 17410586) is (3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is Cc1ccoc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is NEDJCMWDQZFRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-11-4-9-20-13(11)14(17)15-5-7-16(8-6-15)22(18,19)12-3-2-10-21-12/h2-4,9-10H,5-8H2,1H3.
What are the key properties of (3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 17410586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).