2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide

C20H26FN3O4S2 — CID 3207053

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O4S2/c1-4-20(2,3)23-18(25)14-24(13-16-6-5-11-29-16)19(26)12-22-30(27,28)17-9-7-15(21)8-10-17/h5-11,22H,4,12-14H2,1-3H3,(H,23,25)
InChIKeySGRLHFUTHJEIJO-UHFFFAOYSA-N
MW455.58 g/mol
LogP2.50
Rot. Bonds10

About 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3207053) has the molecular formula C20H26FN3O4S2 and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3207053
Molecular FormulaC20H26FN3O4S2
Molecular Weight455.58 g/mol
Exact Mass455.13
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O4S2/c1-4-20(2,3)23-18(25)14-24(13-16-6-5-11-29-16)19(26)12-22-30(27,28)17-9-7-15(21)8-10-17/h5-11,22H,4,12-14H2,1-3H3,(H,23,25)
InChIKeySGRLHFUTHJEIJO-UHFFFAOYSA-N
XLogP2.50
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide (CID 3207053) is 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide is CCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SGRLHFUTHJEIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O4S2/c1-4-20(2,3)23-18(25)14-24(13-16-6-5-11-29-16)19(26)12-22-30(27,28)17-9-7-15(21)8-10-17/h5-11,22H,4,12-14H2,1-3H3,(H,23,25).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 455.58 g/mol, XLogP of 2.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3207053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).