2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

C15H16F2N2O3S2 — CID 4785336

IUPAC2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C15H16F2N2O3S2/c1-2-19(10-14(20)18-9-11-5-4-8-23-11)24(21,22)15-12(16)6-3-7-13(15)17/h3-8H,2,9-10H2,1H3,(H,18,20)
InChIKeyCWRBNHAVYGSBBP-UHFFFAOYSA-N
MW374.43 g/mol
LogP2.35
Rot. Bonds7

About 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4785336) has the molecular formula C15H16F2N2O3S2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4785336
Molecular FormulaC15H16F2N2O3S2
Molecular Weight374.43 g/mol
Exact Mass374.06
IUPAC Name2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C15H16F2N2O3S2/c1-2-19(10-14(20)18-9-11-5-4-8-23-11)24(21,22)15-12(16)6-3-7-13(15)17/h3-8H,2,9-10H2,1H3,(H,18,20)
InChIKeyCWRBNHAVYGSBBP-UHFFFAOYSA-N
XLogP2.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 4785336) is 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CWRBNHAVYGSBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3S2/c1-2-19(10-14(20)18-9-11-5-4-8-23-11)24(21,22)15-12(16)6-3-7-13(15)17/h3-8H,2,9-10H2,1H3,(H,18,20).
What are the key properties of 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 374.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4785336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).