2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide

C20H24FN3O5S2 — CID 3207057

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C20H24FN3O5S2/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h2,4-8,10,16,23H,1,3,9,11-14H2,(H,22,25)
InChIKeyZWOVSHVVNGKJIC-UHFFFAOYSA-N
MW469.56 g/mol
LogP1.49
Rot. Bonds10

About 2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3207057) has the molecular formula C20H24FN3O5S2 and a molecular weight of 469.56 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3207057
Molecular FormulaC20H24FN3O5S2
Molecular Weight469.56 g/mol
Exact Mass469.11
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C20H24FN3O5S2/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h2,4-8,10,16,23H,1,3,9,11-14H2,(H,22,25)
InChIKeyZWOVSHVVNGKJIC-UHFFFAOYSA-N
XLogP1.49
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(thiophen-2-ylmethyl)-N-[(3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl)methyl]oxamide
CID 4156821
N-[[3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 4250425
N1-benzyl-N2-((3-(thiophen-2-ylsulfonyl)oxazolidin-2-yl)methyl)oxalamide
CID 12006054
2-(4-Fluoro-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 3207014
N1-((3-((2,5-difluorophenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 18562499
Bes(4-F)-Gly-N(thien-2-ylmethyl)Gly-NHtBu
CID 3207050
2-[(4-chlorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3207126
2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3206804
2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3206823
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3207053
2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4785336
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8320592

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide (CID 3207057) is 2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCC1CCCO1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZWOVSHVVNGKJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O5S2/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h2,4-8,10,16,23H,1,3,9,11-14H2,(H,22,25).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 469.56 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3207057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).