2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

C17H18N2O3S — CID 27710336

IUPAC2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-17(19-14-10-11-23(21,22)12-14)15-8-4-5-9-16(15)18-13-6-2-1-3-7-13/h1-9,14,18H,10-12H2,(H,19,20)/t14-/m1/s1
InChIKeyUXTRFYXZPKPJBD-CQSZACIVSA-N
MW330.41 g/mol
LogP2.35
Rot. Bonds4

About 2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 27710336) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID27710336
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-17(19-14-10-11-23(21,22)12-14)15-8-4-5-9-16(15)18-13-6-2-1-3-7-13/h1-9,14,18H,10-12H2,(H,19,20)/t14-/m1/s1
InChIKeyUXTRFYXZPKPJBD-CQSZACIVSA-N
XLogP2.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromobenzoyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 95574617
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
2-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzoic acid
CID 61182882
methyl 2-[[2-[(1,1-dioxothiolan-3-yl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109214889
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 26003545
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
2-[[2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]acetyl]amino]-N-phenylbenzamide
CID 4968783
N-[2-[(1,1-dioxothiolan-3-yl)carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide
CID 53008932
3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 103980277
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of 2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (CID 27710336) is 2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for 2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for 2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is UXTRFYXZPKPJBD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-17(19-14-10-11-23(21,22)12-14)15-8-4-5-9-16(15)18-13-6-2-1-3-7-13/h1-9,14,18H,10-12H2,(H,19,20)/t14-/m1/s1.
What are the key properties of 2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 330.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 27710336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).