(2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide

C19H20N2O4S — CID 40954290

IUPAC(2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
SMILESC[C@H](Nc1ccc2oc3ccccc3c2c1)C(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H20N2O4S/c1-12(19(22)21-14-8-9-26(23,24)11-14)20-13-6-7-18-16(10-13)15-4-2-3-5-17(15)25-18/h2-7,10,12,14,20H,8-9,11H2,1H3,(H,21,22)/t12-,14-/m0/s1
InChIKeyALZLSARPYVFQDW-JSGCOSHPSA-N
MW372.45 g/mol
LogP2.69
Rot. Bonds4

About (2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide

(2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide (PubChem CID 40954290) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is (2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
PubChem CID40954290
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name(2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
SMILESC[C@H](Nc1ccc2oc3ccccc3c2c1)C(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H20N2O4S/c1-12(19(22)21-14-8-9-26(23,24)11-14)20-13-6-7-18-16(10-13)15-4-2-3-5-17(15)25-18/h2-7,10,12,14,20H,8-9,11H2,1H3,(H,21,22)/t12-,14-/m0/s1
InChIKeyALZLSARPYVFQDW-JSGCOSHPSA-N
XLogP2.69
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothiolan-3-yl)dibenzofuran-2-amine
CID 60708524
(2R)-2-(4-bromoanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 9273781
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-iodoanilino)propanamide
CID 9431005
(2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide
CID 40954212
2-(dibenzofuran-2-ylamino)-N-(methylcarbamoyl)propanamide
CID 17430257
[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 8739012
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-piperidin-1-ylanilino)propanamide
CID 40809505
(2R)-2-(dibenzofuran-2-ylamino)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25347499
(2R)-2-amino-N-dibenzofuran-2-ylpropanamide
CID 54996249
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 9384383
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide
CID 78972072
N-[(3R)-1,1-dioxothiolan-3-yl]-6-ethyl-4-oxochromene-2-carboxamide
CID 40643679

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
The IUPAC name of (2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide (CID 40954290) is (2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
The canonical SMILES for (2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide is C[C@H](Nc1ccc2oc3ccccc3c2c1)C(=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
The InChIKey is ALZLSARPYVFQDW-JSGCOSHPSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12(19(22)21-14-8-9-26(23,24)11-14)20-13-6-7-18-16(10-13)15-4-2-3-5-17(15)25-18/h2-7,10,12,14,20H,8-9,11H2,1H3,(H,21,22)/t12-,14-/m0/s1.
What are the key properties of (2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
(2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide has a molecular weight of 372.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzofuran-2-ylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide is sourced from PubChem (CID 40954290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).