N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide

C18H17NO4S — CID 27023364

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)oc2c1ccc1ccccc12
InChIInChI=1S/C18H17NO4S/c1-11-14-7-6-12-4-2-3-5-15(12)17(14)23-16(11)18(20)19-13-8-9-24(21,22)10-13/h2-7,13H,8-10H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyBKQLHTJWUXLCBT-ZDUSSCGKSA-N
MW343.40 g/mol
LogP2.81
Rot. Bonds2

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

N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide (PubChem CID 27023364) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
PubChem CID27023364
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)oc2c1ccc1ccccc12
InChIInChI=1S/C18H17NO4S/c1-11-14-7-6-12-4-2-3-5-15(12)17(14)23-16(11)18(20)19-13-8-9-24(21,22)10-13/h2-7,13H,8-10H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyBKQLHTJWUXLCBT-ZDUSSCGKSA-N
XLogP2.81
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 8639296
5-bromo-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 44841757
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 86834650
N-(1,1-dioxothiolan-3-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 2947909
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 5041411
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
CID 119430724
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 40946836
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
6-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]hexanoic acid
CID 119352194
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide (CID 27023364) is N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)oc2c1ccc1ccccc12.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is BKQLHTJWUXLCBT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-11-14-7-6-12-4-2-3-5-15(12)17(14)23-16(11)18(20)19-13-8-9-24(21,22)10-13/h2-7,13H,8-10H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.81, 2 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]-3-methylbenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 27023364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).