N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide

C18H18N2O5S — CID 51417817

IUPACN-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide
SMILESO=C(NC(=O)c1cccc(Oc2ccccc2)c1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H18N2O5S/c21-17(20-18(22)19-14-9-10-26(23,24)12-14)13-5-4-8-16(11-13)25-15-6-2-1-3-7-15/h1-8,11,14H,9-10,12H2,(H2,19,20,21,22)/t14-/m1/s1
InChIKeyOILUIVMZSVZPPY-CQSZACIVSA-N
MW374.42 g/mol
LogP2.11
Rot. Bonds4

About N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide

N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide (PubChem CID 51417817) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide
PubChem CID51417817
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide
SMILESO=C(NC(=O)c1cccc(Oc2ccccc2)c1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H18N2O5S/c21-17(20-18(22)19-14-9-10-26(23,24)12-14)13-5-4-8-16(11-13)25-15-6-2-1-3-7-15/h1-8,11,14H,9-10,12H2,(H2,19,20,21,22)/t14-/m1/s1
InChIKeyOILUIVMZSVZPPY-CQSZACIVSA-N
XLogP2.11
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-phenoxybenzohydrazide
CID 8938684
3-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 18109657
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[(Z)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]-4-methylbenzamide
CID 6519275
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 9318435
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 51925377
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide
CID 18837889
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-phenoxybenzoate
CID 2646618
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
3-N-(1,1-dioxothiolan-3-yl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055261

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide?
The IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide (CID 51417817) is N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide?
The canonical SMILES for N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide is O=C(NC(=O)c1cccc(Oc2ccccc2)c1)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide?
The InChIKey is OILUIVMZSVZPPY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N2O5S/c21-17(20-18(22)19-14-9-10-26(23,24)12-14)13-5-4-8-16(11-13)25-15-6-2-1-3-7-15/h1-8,11,14H,9-10,12H2,(H2,19,20,21,22)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide?
N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide has a molecular weight of 374.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide is sourced from PubChem (CID 51417817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).