N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide

C18H23NO5S — CID 52892962

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(C(=O)c1oc2ccccc2c1COC)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H23NO5S/c1-3-9-19(13-8-10-25(21,22)12-13)18(20)17-15(11-23-2)14-6-4-5-7-16(14)24-17/h4-7,13H,3,8-12H2,1-2H3/t13-/m0/s1
InChIKeyNONNWHXMUCMEJF-ZDUSSCGKSA-N
MW365.45 g/mol
LogP2.62
Rot. Bonds6

About N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide (PubChem CID 52892962) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide
PubChem CID52892962
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(C(=O)c1oc2ccccc2c1COC)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H23NO5S/c1-3-9-19(13-8-10-25(21,22)12-13)18(20)17-15(11-23-2)14-6-4-5-7-16(14)24-17/h4-7,13H,3,8-12H2,1-2H3/t13-/m0/s1
InChIKeyNONNWHXMUCMEJF-ZDUSSCGKSA-N
XLogP2.62
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-3-(methoxymethyl)-N-[(4-propan-2-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 18200624
N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 3351955
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3-methoxyphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 40643480
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide
CID 78771506
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2479836
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7390201
5-bromo-N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 55488103
N-[(3-bromophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 40850732
3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide
CID 78816353
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 18879923
6-[(1,1-dioxothiolan-3-yl)-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119179508

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide (CID 52892962) is N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide is CCCN(C(=O)c1oc2ccccc2c1COC)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide?
The InChIKey is NONNWHXMUCMEJF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-3-9-19(13-8-10-25(21,22)12-13)18(20)17-15(11-23-2)14-6-4-5-7-16(14)24-17/h4-7,13H,3,8-12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 52892962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).