3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide

C19H24N2O4S2 — CID 124727763

IUPAC3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC[C@H](c1ccoc1)N1CCSCC1
InChIInChI=1S/C19H24N2O4S2/c22-19(7-13-27(23,24)17-4-2-1-3-5-17)20-14-18(16-6-10-25-15-16)21-8-11-26-12-9-21/h1-6,10,15,18H,7-9,11-14H2,(H,20,22)/t18-/m1/s1
InChIKeySGFDBAHGHIATKY-GOSISDBHSA-N
MW408.55 g/mol
LogP2.35
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide

3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide (PubChem CID 124727763) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide
PubChem CID124727763
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC[C@H](c1ccoc1)N1CCSCC1
InChIInChI=1S/C19H24N2O4S2/c22-19(7-13-27(23,24)17-4-2-1-3-5-17)20-14-18(16-6-10-25-15-16)21-8-11-26-12-9-21/h1-6,10,15,18H,7-9,11-14H2,(H,20,22)/t18-/m1/s1
InChIKeySGFDBAHGHIATKY-GOSISDBHSA-N
XLogP2.35
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide
CID 97040675
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide
CID 124878348
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]furan-2-carboxamide
CID 124760075
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 124874264
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide
CID 124874245
(E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
CID 124760459
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide
CID 124878531
N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N-(2-methoxyethyl)oxamide
CID 124878570
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124873494
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124875632
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 124760721
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide
CID 124875456

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide (CID 124727763) is 3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](c1ccoc1)N1CCSCC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide?
The InChIKey is SGFDBAHGHIATKY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c22-19(7-13-27(23,24)17-4-2-1-3-5-17)20-14-18(16-6-10-25-15-16)21-8-11-26-12-9-21/h1-6,10,15,18H,7-9,11-14H2,(H,20,22)/t18-/m1/s1.
What are the key properties of 3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide?
3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide has a molecular weight of 408.55 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide is sourced from PubChem (CID 124727763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).