2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide

C19H25N3O3S2 — CID 110222235

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
SMILESCc1cccnc1C(Cc1ccsc1)NC(=O)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H25N3O3S2/c1-14-4-3-7-20-19(14)17(10-15-5-8-26-12-15)21-18(23)11-22(2)16-6-9-27(24,25)13-16/h3-5,7-8,12,16-17H,6,9-11,13H2,1-2H3,(H,21,23)
InChIKeyWCQTUYUJJWZLBP-UHFFFAOYSA-N
MW407.56 g/mol
LogP1.97
Rot. Bonds7

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide (PubChem CID 110222235) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
PubChem CID110222235
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
SMILESCc1cccnc1C(Cc1ccsc1)NC(=O)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H25N3O3S2/c1-14-4-3-7-20-19(14)17(10-15-5-8-26-12-15)21-18(23)11-22(2)16-6-9-27(24,25)13-16/h3-5,7-8,12,16-17H,6,9-11,13H2,1-2H3,(H,21,23)
InChIKeyWCQTUYUJJWZLBP-UHFFFAOYSA-N
XLogP1.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide with MolForge

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Related Compounds

N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92562309
N-methyl-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 62603185
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 110221792
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
CID 47164063
2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
CID 95786005
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide
CID 95279452
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 124737319
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 129418914
N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
CID 46981762
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793246
N-[1-(3,4-difluorophenyl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 51073903
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 125171057

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide (CID 110222235) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide is Cc1cccnc1C(Cc1ccsc1)NC(=O)CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide?
The InChIKey is WCQTUYUJJWZLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-14-4-3-7-20-19(14)17(10-15-5-8-26-12-15)21-18(23)11-22(2)16-6-9-27(24,25)13-16/h3-5,7-8,12,16-17H,6,9-11,13H2,1-2H3,(H,21,23).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide has a molecular weight of 407.56 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 110222235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).