2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide

C19H25N3O4S2 — CID 3206812

IUPAC2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H25N3O4S2/c1-19(2,3)21-17(23)14-22(13-15-8-7-11-27-15)18(24)12-20-28(25,26)16-9-5-4-6-10-16/h4-11,20H,12-14H2,1-3H3,(H,21,23)
InChIKeyFEICGGIPRYQGIJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP1.97
Rot. Bonds8

About 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide

2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3206812) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3206812
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H25N3O4S2/c1-19(2,3)21-17(23)14-22(13-15-8-7-11-27-15)18(24)12-20-28(25,26)16-9-5-4-6-10-16/h4-11,20H,12-14H2,1-3H3,(H,21,23)
InChIKeyFEICGGIPRYQGIJ-UHFFFAOYSA-N
XLogP1.97
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide (CID 3206812) is 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide is CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is FEICGGIPRYQGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-19(2,3)21-17(23)14-22(13-15-8-7-11-27-15)18(24)12-20-28(25,26)16-9-5-4-6-10-16/h4-11,20H,12-14H2,1-3H3,(H,21,23).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 423.56 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3206812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).