N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

C19H24FN3O4S2 — CID 3207050

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O4S2/c1-19(2,3)22-17(24)13-23(12-15-5-4-10-28-15)18(25)11-21-29(26,27)16-8-6-14(20)7-9-16/h4-10,21H,11-13H2,1-3H3,(H,22,24)
InChIKeyOBGBJIORASBZGR-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.11
Rot. Bonds8

About N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3207050) has the molecular formula C19H24FN3O4S2 and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3207050
Molecular FormulaC19H24FN3O4S2
Molecular Weight441.55 g/mol
Exact Mass441.12
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O4S2/c1-19(2,3)22-17(24)13-23(12-15-5-4-10-28-15)18(25)11-21-29(26,27)16-8-6-14(20)7-9-16/h4-10,21H,11-13H2,1-3H3,(H,22,24)
InChIKeyOBGBJIORASBZGR-UHFFFAOYSA-N
XLogP2.11
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2608928
1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 2999598
N-(tert-Butylcarbamoyl-methyl)-N-thiophen-2-ylmethyl-2-(toluene-4-sulfonylamino)-acetamide
CID 3206927
1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 4882031
N-[(4-Methylphenyl)methyl]-4-(methylsulfanyl)-2-(thiophene-2-sulfonamido)butanamide
CID 9551096
N-(4-fluorobenzyl)-N'-[2-(2-thienyl)-2-(2-thienylsulfonyl)ethyl]ethanediamide
CID 16032166
1-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 16325898
N1-(thiophen-2-ylmethyl)-N2-((1-tosylpyrrolidin-2-yl)methyl)oxalamide
CID 16829862
N1-benzyl-N2-((1-(thiophen-2-ylsulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 16829959
N1-(4-methylbenzyl)-N2-((1-(thiophen-2-ylsulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 16829960

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 3207050) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is OBGBJIORASBZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4S2/c1-19(2,3)22-17(24)13-23(12-15-5-4-10-28-15)18(25)11-21-29(26,27)16-8-6-14(20)7-9-16/h4-10,21H,11-13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 441.55 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3207050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).