3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

C22H27N3O5S2 — CID 38491610

IUPAC3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H27N3O5S2/c26-21(25-10-12-30-13-11-25)17-6-8-24(9-7-17)22(27)18-3-1-5-20(15-18)32(28,29)23-16-19-4-2-14-31-19/h1-5,14-15,17,23H,6-13,16H2
InChIKeyKSRLIJLKQSODRD-UHFFFAOYSA-N
MW477.61 g/mol
LogP1.94
Rot. Bonds6

About 3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 38491610) has the molecular formula C22H27N3O5S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID38491610
Molecular FormulaC22H27N3O5S2
Molecular Weight477.61 g/mol
Exact Mass477.14
IUPAC Name3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H27N3O5S2/c26-21(25-10-12-30-13-11-25)17-6-8-24(9-7-17)22(27)18-3-1-5-20(15-18)32(28,29)23-16-19-4-2-14-31-19/h1-5,14-15,17,23H,6-13,16H2
InChIKeyKSRLIJLKQSODRD-UHFFFAOYSA-N
XLogP1.94
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 38491610) is 3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is KSRLIJLKQSODRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S2/c26-21(25-10-12-30-13-11-25)17-6-8-24(9-7-17)22(27)18-3-1-5-20(15-18)32(28,29)23-16-19-4-2-14-31-19/h1-5,14-15,17,23H,6-13,16H2.
What are the key properties of 3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 477.61 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 38491610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).