(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide

C22H26N2O3S — CID 40820368

IUPAC(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide
SMILESCCN(C(=O)[C@@H](C)Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C22H26N2O3S/c1-3-24(19-10-11-28(26,27)14-19)22(25)15(2)23-18-8-9-21-17(13-18)12-16-6-4-5-7-20(16)21/h4-9,13,15,19,23H,3,10-12,14H2,1-2H3/t15-,19+/m1/s1
InChIKeyHMSPXYRJYSYVCC-BEFAXECRSA-N
MW398.53 g/mol
LogP3.09
Rot. Bonds5

About (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide

(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide (PubChem CID 40820368) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide
PubChem CID40820368
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide
SMILESCCN(C(=O)[C@@H](C)Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C22H26N2O3S/c1-3-24(19-10-11-28(26,27)14-19)22(25)15(2)23-18-8-9-21-17(13-18)12-16-6-4-5-7-20(16)21/h4-9,13,15,19,23H,3,10-12,14H2,1-2H3/t15-,19+/m1/s1
InChIKeyHMSPXYRJYSYVCC-BEFAXECRSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide with MolForge

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(9H-fluoren-2-yl)urea
CID 131908673
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-oxochromen-6-yl)amino]propanamide
CID 167952164
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 42938143
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 125138754
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872608
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
2-(1,3-benzodioxol-5-ylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 167811081
2-(3-aminophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 106591044
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(4-fluorophenyl)urea
CID 108866926
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(3-nitroanilino)propanamide
CID 9274354
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8732676
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 25393057

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide?
The IUPAC name of (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide (CID 40820368) is (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide.
What is the SMILES notation for (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide?
The canonical SMILES for (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide is CCN(C(=O)[C@@H](C)Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide?
The InChIKey is HMSPXYRJYSYVCC-BEFAXECRSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-3-24(19-10-11-28(26,27)14-19)22(25)15(2)23-18-8-9-21-17(13-18)12-16-6-4-5-7-20(16)21/h4-9,13,15,19,23H,3,10-12,14H2,1-2H3/t15-,19+/m1/s1.
What are the key properties of (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide?
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide has a molecular weight of 398.53 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(9H-fluoren-2-ylamino)propanamide is sourced from PubChem (CID 40820368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).