N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide

C14H19NO4S — CID 7164305

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H19NO4S/c1-10(2)19-13-5-3-11(4-6-13)14(16)15-12-7-8-20(17,18)9-12/h3-6,10,12H,7-9H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyQQSZAEYQNRWUSR-LBPRGKRZSA-N
MW297.38 g/mol
LogP1.39
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide

N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide (PubChem CID 7164305) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide
PubChem CID7164305
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H19NO4S/c1-10(2)19-13-5-3-11(4-6-13)14(16)15-12-7-8-20(17,18)9-12/h3-6,10,12H,7-9H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyQQSZAEYQNRWUSR-LBPRGKRZSA-N
XLogP1.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109237215
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7083020
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
N-(1,1-dioxothiolan-3-yl)-4-(trifluoromethyl)benzamide
CID 17475086
1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048157
4-cyano-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7123830
4-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7123831
3-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 18109657
N-(1,1-dioxothiolan-3-yl)-2-(4-phenoxyphenoxy)propanamide
CID 18837889
N-[(3S)-1,1-dioxothiolan-3-yl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 94822687
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide (CID 7164305) is N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide?
The InChIKey is QQSZAEYQNRWUSR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10(2)19-13-5-3-11(4-6-13)14(16)15-12-7-8-20(17,18)9-12/h3-6,10,12H,7-9H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide has a molecular weight of 297.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 7164305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).