N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide

C19H18N2O5S2 — CID 27564557

IUPACN'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18N2O5S2/c22-18(20-12-14-6-4-10-26-14)19(23)21-13-17(16-9-5-11-27-16)28(24,25)15-7-2-1-3-8-15/h1-11,17H,12-13H2,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyMPINZLCOJNONQZ-KRWDZBQOSA-N
MW418.50 g/mol
LogP2.29
Rot. Bonds7

About N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide

N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide (PubChem CID 27564557) has the molecular formula C19H18N2O5S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide
PubChem CID27564557
Molecular FormulaC19H18N2O5S2
Molecular Weight418.50 g/mol
Exact Mass418.07
IUPAC NameN'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18N2O5S2/c22-18(20-12-14-6-4-10-26-14)19(23)21-13-17(16-9-5-11-27-16)28(24,25)15-7-2-1-3-8-15/h1-11,17H,12-13H2,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyMPINZLCOJNONQZ-KRWDZBQOSA-N
XLogP2.29
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 27506079
N-(furan-2-ylmethyl)-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 27506074
N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 27555177
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 40774888
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 40774886
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 7268429
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774967
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774914
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide
CID 7268431
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 7268597
N-[(2-chlorophenyl)methyl]-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 22584028
N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 41184417

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide (CID 27564557) is N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide is O=C(NCc1ccco1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is MPINZLCOJNONQZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N2O5S2/c22-18(20-12-14-6-4-10-26-14)19(23)21-13-17(16-9-5-11-27-16)28(24,25)15-7-2-1-3-8-15/h1-11,17H,12-13H2,(H,20,22)(H,21,23)/t17-/m0/s1.
What are the key properties of N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide?
N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 418.50 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 27564557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).