N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

C24H27FN2O3S2 — CID 3913407

IUPACN-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H27FN2O3S2/c1-2-3-15-27(32(29,30)23-13-11-21(25)12-14-23)19-24(28)26(18-22-10-7-16-31-22)17-20-8-5-4-6-9-20/h4-14,16H,2-3,15,17-19H2,1H3
InChIKeyKFCPFQDZMKNUIM-UHFFFAOYSA-N
MW474.62 g/mol
LogP4.91
Rot. Bonds11

About N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3913407) has the molecular formula C24H27FN2O3S2 and a molecular weight of 474.62 g/mol. Its IUPAC name is N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3913407
Molecular FormulaC24H27FN2O3S2
Molecular Weight474.62 g/mol
Exact Mass474.14
IUPAC NameN-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H27FN2O3S2/c1-2-3-15-27(32(29,30)23-13-11-21(25)12-14-23)19-24(28)26(18-22-10-7-16-31-22)17-20-8-5-4-6-9-20/h4-14,16H,2-3,15,17-19H2,1H3
InChIKeyKFCPFQDZMKNUIM-UHFFFAOYSA-N
XLogP4.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[butyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4562295
N-benzyl-2-[tert-butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060276
N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3567239
N-benzyl-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 5018950
N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5140226
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1031857
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4093220
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-methylbutyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3980302
N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3612818
2-[butan-2-yl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3409274
2-[butylsulfonyl(2-pyrrolidin-1-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4054882
N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4259657

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 3913407) is N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is CCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KFCPFQDZMKNUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3S2/c1-2-3-15-27(32(29,30)23-13-11-21(25)12-14-23)19-24(28)26(18-22-10-7-16-31-22)17-20-8-5-4-6-9-20/h4-14,16H,2-3,15,17-19H2,1H3.
What are the key properties of N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 474.62 g/mol, XLogP of 4.91, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3913407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).