N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide

C19H23N3O3S — CID 113013706

IUPACN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(N(C)C3CCS(=O)(=O)C3)nc2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-4-3-5-15(10-14)11-19(23)21-16-6-7-18(20-12-16)22(2)17-8-9-26(24,25)13-17/h3-7,10,12,17H,8-9,11,13H2,1-2H3,(H,21,23)
InChIKeyKOICCSOFNRPHIK-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.19
Rot. Bonds5

About N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide

N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide (PubChem CID 113013706) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
PubChem CID113013706
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(N(C)C3CCS(=O)(=O)C3)nc2)c1
InChIInChI=1S/C19H23N3O3S/c1-14-4-3-5-15(10-14)11-19(23)21-16-6-7-18(20-12-16)22(2)17-8-9-26(24,25)13-17/h3-7,10,12,17H,8-9,11,13H2,1-2H3,(H,21,23)
InChIKeyKOICCSOFNRPHIK-UHFFFAOYSA-N
XLogP2.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide
CID 113013662
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113013628
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]pentanamide
CID 113013666
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113013692
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113013665
N-[6-(N-methylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113016495
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113013675
3-chloro-N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]benzamide
CID 113013695
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-3,4-dimethylbenzamide
CID 113013684
N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide
CID 112983871
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-fluorobenzamide
CID 113013680
1-cyclohexyl-3-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]urea
CID 113013709

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide (CID 113013706) is N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(N(C)C3CCS(=O)(=O)C3)nc2)c1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The InChIKey is KOICCSOFNRPHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-4-3-5-15(10-14)11-19(23)21-16-6-7-18(20-12-16)22(2)17-8-9-26(24,25)13-17/h3-7,10,12,17H,8-9,11,13H2,1-2H3,(H,21,23).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide?
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113013706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).