2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

C14H17N3O3S2 — CID 112993027

IUPAC2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCc1ccc(S(=O)(=O)NCC(=O)NCc2ccccn2)s1
InChIInChI=1S/C14H17N3O3S2/c1-2-12-6-7-14(21-12)22(19,20)17-10-13(18)16-9-11-5-3-4-8-15-11/h3-8,17H,2,9-10H2,1H3,(H,16,18)
InChIKeyUSSTYCOOWCLOOO-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.30
Rot. Bonds7

About 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 112993027) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID112993027
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCc1ccc(S(=O)(=O)NCC(=O)NCc2ccccn2)s1
InChIInChI=1S/C14H17N3O3S2/c1-2-12-6-7-14(21-12)22(19,20)17-10-13(18)16-9-11-5-3-4-8-15-11/h3-8,17H,2,9-10H2,1H3,(H,16,18)
InChIKeyUSSTYCOOWCLOOO-UHFFFAOYSA-N
XLogP1.30
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992219
2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993044
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993012
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
5-ethyl-N-phenacylthiophene-2-sulfonamide
CID 64993884
N-(2,6-dimethylphenyl)-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetamide
CID 112996705
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993039
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993014
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 112996218
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
2-[5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 43401345

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 112993027) is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is CCc1ccc(S(=O)(=O)NCC(=O)NCc2ccccn2)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is USSTYCOOWCLOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-2-12-6-7-14(21-12)22(19,20)17-10-13(18)16-9-11-5-3-4-8-15-11/h3-8,17H,2,9-10H2,1H3,(H,16,18).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 112993027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).