(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C23H29NO5S — CID 98320496

IUPAC(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)ccc2c1
InChIInChI=1S/C23H29NO5S/c1-16(17-5-6-19-13-21(28-2)8-7-18(19)12-17)23(25)24(14-22-4-3-10-29-22)20-9-11-30(26,27)15-20/h5-8,12-13,16,20,22H,3-4,9-11,14-15H2,1-2H3/t16-,20-,22-/m0/s1
InChIKeyKDYZPHXASCSUQK-BUKVSMQUSA-N
MW431.55 g/mol
LogP3.15
Rot. Bonds6

About (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 98320496) has the molecular formula C23H29NO5S and a molecular weight of 431.55 g/mol. Its IUPAC name is (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID98320496
Molecular FormulaC23H29NO5S
Molecular Weight431.55 g/mol
Exact Mass431.18
IUPAC Name(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)ccc2c1
InChIInChI=1S/C23H29NO5S/c1-16(17-5-6-19-13-21(28-2)8-7-18(19)12-17)23(25)24(14-22-4-3-10-29-22)20-9-11-30(26,27)15-20/h5-8,12-13,16,20,22H,3-4,9-11,14-15H2,1-2H3/t16-,20-,22-/m0/s1
InChIKeyKDYZPHXASCSUQK-BUKVSMQUSA-N
XLogP3.15
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.55
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]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

1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8680739
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 52533672
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-methoxyphenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8769817
(2R)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 97007244
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-4-phenoxybenzamide
CID 8019925
1-[(3S)-1,1-dioxothiolan-3-yl]-1-[[(2R)-oxolan-2-yl]methyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8680787
N-(1,1-dioxothiolan-3-yl)-2-[1-(4-ethylphenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112801120
2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409966
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951950
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
2-(4-benzoylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 26918260
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methyl-1,2-oxazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 97258269

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 98320496) is (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is COc1ccc2cc([C@H](C)C(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)ccc2c1.
What is the InChIKey of (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is KDYZPHXASCSUQK-BUKVSMQUSA-N. The full InChI is InChI=1S/C23H29NO5S/c1-16(17-5-6-19-13-21(28-2)8-7-18(19)12-17)23(25)24(14-22-4-3-10-29-22)20-9-11-30(26,27)15-20/h5-8,12-13,16,20,22H,3-4,9-11,14-15H2,1-2H3/t16-,20-,22-/m0/s1.
What are the key properties of (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 431.55 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 98320496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).