2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

C15H16ClFN2O3S2 — CID 4818190

IUPAC2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H16ClFN2O3S2/c1-2-19(10-15(20)18-9-11-4-3-7-23-11)24(21,22)12-5-6-14(17)13(16)8-12/h3-8H,2,9-10H2,1H3,(H,18,20)
InChIKeyJLNQRPYMVVGVOZ-UHFFFAOYSA-N
MW390.89 g/mol
LogP2.87
Rot. Bonds7

About 2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4818190) has the molecular formula C15H16ClFN2O3S2 and a molecular weight of 390.89 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4818190
Molecular FormulaC15H16ClFN2O3S2
Molecular Weight390.89 g/mol
Exact Mass390.03
IUPAC Name2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H16ClFN2O3S2/c1-2-19(10-15(20)18-9-11-4-3-7-23-11)24(21,22)12-5-6-14(17)13(16)8-12/h3-8H,2,9-10H2,1H3,(H,18,20)
InChIKeyJLNQRPYMVVGVOZ-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(5-methylthiophen-2-yl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 54580710
N-[(2-Chlorophenyl)methyl]-2-(N-methylthiophene-2-sulfonamido)acetamide
CID 6619347
N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7012503
2-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4885056
Bes(4-F)-Gly-N(thien-2-ylmethyl)Gly-NHtBu
CID 3207050
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 4786049
N-[2-(4-chlorophenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7012502
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 24979210
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3207053
3-(4-Chlorobenzenesulfonamido)-N-[(thiophen-2-YL)methyl]propanamide
CID 3313907
2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4785336
2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 7509947

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 4818190) is 2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JLNQRPYMVVGVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O3S2/c1-2-19(10-15(20)18-9-11-4-3-7-23-11)24(21,22)12-5-6-14(17)13(16)8-12/h3-8H,2,9-10H2,1H3,(H,18,20).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 390.89 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4818190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).