2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide

C25H26ClFN2O4S2 — CID 4078291

IUPAC2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C25H26ClFN2O4S2/c26-20-7-11-24(12-8-20)35(31,32)29(16-22-3-1-13-33-22)18-25(30)28(17-23-4-2-14-34-23)15-19-5-9-21(27)10-6-19/h2,4-12,14,22H,1,3,13,15-18H2
InChIKeyDARXHBUETRZAAX-UHFFFAOYSA-N
MW537.08 g/mol
LogP4.94
Rot. Bonds10

About 2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4078291) has the molecular formula C25H26ClFN2O4S2 and a molecular weight of 537.08 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4078291
Molecular FormulaC25H26ClFN2O4S2
Molecular Weight537.08 g/mol
Exact Mass536.10
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C25H26ClFN2O4S2/c26-20-7-11-24(12-8-20)35(31,32)29(16-22-3-1-13-33-22)18-25(30)28(17-23-4-2-14-34-23)15-19-5-9-21(27)10-6-19/h2,4-12,14,22H,1,3,13,15-18H2
InChIKeyDARXHBUETRZAAX-UHFFFAOYSA-N
XLogP4.94
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.08
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3207126
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 2917914
N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-(2-fluorobenzyl)-N-(tetrahydrofuran-2-ylmethyl)glycinamide
CID 3149558
2-(4-Chloro-benzenesulfonylamino)-N-[(4-fluoro-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207098
2-(4-Chloro-benzenesulfonylamino)-N-(4-fluoro-benzyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 3207104
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3453865
4-chloro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3644452
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 4683490
N-[(4-Fluorophenyl)methyl]-N-[(5-methylthiophen-2-YL)methyl]-2-{N-[(oxolan-2-YL)methyl]benzenesulfonamido}acetamide
CID 5010137
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1026586
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1026590
2-[(4-chlorophenyl)sulfonyl-propan-2-ylamino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 1026631

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide (CID 4078291) is 2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(CC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)Cc1cccs1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DARXHBUETRZAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN2O4S2/c26-20-7-11-24(12-8-20)35(31,32)29(16-22-3-1-13-33-22)18-25(30)28(17-23-4-2-14-34-23)15-19-5-9-21(27)10-6-19/h2,4-12,14,22H,1,3,13,15-18H2.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 537.08 g/mol, XLogP of 4.94, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4078291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).