N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide

C20H24N2O3S — CID 164638269

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCCc1ccccc1CC(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H24N2O3S/c1-2-17-7-3-4-8-18(17)12-20(23)22(14-16-6-5-10-21-13-16)19-9-11-26(24,25)15-19/h3-8,10,13,19H,2,9,11-12,14-15H2,1H3/t19-/m0/s1
InChIKeyLKUYJFAMXMUJET-IBGZPJMESA-N
MW372.49 g/mol
LogP2.40
Rot. Bonds6

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 164638269) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID164638269
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCCc1ccccc1CC(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H24N2O3S/c1-2-17-7-3-4-8-18(17)12-20(23)22(14-16-6-5-10-21-13-16)19-9-11-26(24,25)15-19/h3-8,10,13,19H,2,9,11-12,14-15H2,1H3/t19-/m0/s1
InChIKeyLKUYJFAMXMUJET-IBGZPJMESA-N
XLogP2.40
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 95740479
N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 138998223
3-cyclohexyl-1-[(3R)-1,1-dioxothiolan-3-yl]-1-(pyridin-3-ylmethyl)thiourea
CID 51430350
N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-5-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 126772219
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(pyridin-3-ylmethylamino)acetamide
CID 108999351
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 125180022
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-ethoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 35525248
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-2-phenoxyacetamide
CID 7461305
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8781862
N-(1,1-dioxothiolan-3-yl)-2-(2-nitrophenyl)-N-propylacetamide
CID 78789212
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
4-O-[2-[benzyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851681

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide (CID 164638269) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide is CCc1ccccc1CC(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is LKUYJFAMXMUJET-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-17-7-3-4-8-18(17)12-20(23)22(14-16-6-5-10-21-13-16)19-9-11-26(24,25)15-19/h3-8,10,13,19H,2,9,11-12,14-15H2,1H3/t19-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethylphenyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 164638269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).