N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide

C16H18N2O4S — CID 1415423

IUPACN-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccco1)c1ccccc1
InChIInChI=1S/C16H18N2O4S/c19-16(12-5-2-1-3-6-12)18-15-11-23(20,21)10-14(15)17-9-13-7-4-8-22-13/h1-8,14-15,17H,9-11H2,(H,18,19)/t14-,15+/m0/s1
InChIKeyILGDJVNLXLNWSP-LSDHHAIUSA-N
MW334.40 g/mol
LogP0.96
Rot. Bonds5

About N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide

N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 1415423) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID1415423
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccco1)c1ccccc1
InChIInChI=1S/C16H18N2O4S/c19-16(12-5-2-1-3-6-12)18-15-11-23(20,21)10-14(15)17-9-13-7-4-8-22-13/h1-8,14-15,17H,9-11H2,(H,18,19)/t14-,15+/m0/s1
InChIKeyILGDJVNLXLNWSP-LSDHHAIUSA-N
XLogP0.96
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-ol;hydrochloride
CID 18558678
cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51556928
cis-(1R,2S)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51440657
(1S,4S,5S)-5-benzamido-N-(furan-2-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 53184818
(3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol
CID 42344850
N-bis(furan-2-ylmethylamino)phosphorylbenzamide
CID 86094455
N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 91915719
N-[(3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-yl]propanamide
CID 133269437
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide
CID 4739398
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide (CID 1415423) is N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide is O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccco1)c1ccccc1.
What is the InChIKey of N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is ILGDJVNLXLNWSP-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-16(12-5-2-1-3-6-12)18-15-11-23(20,21)10-14(15)17-9-13-7-4-8-22-13/h1-8,14-15,17H,9-11H2,(H,18,19)/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide?
N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 334.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 1415423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).