N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

C24H26Cl2N2O3S2 — CID 3567239

IUPACN-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H26Cl2N2O3S2/c1-2-3-13-28(33(30,31)23-15-20(25)11-12-22(23)26)18-24(29)27(17-21-10-7-14-32-21)16-19-8-5-4-6-9-19/h4-12,14-15H,2-3,13,16-18H2,1H3
InChIKeyGBNGRQLWCNQENC-UHFFFAOYSA-N
MW525.52 g/mol
LogP6.07
Rot. Bonds11

About N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3567239) has the molecular formula C24H26Cl2N2O3S2 and a molecular weight of 525.52 g/mol. Its IUPAC name is N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3567239
Molecular FormulaC24H26Cl2N2O3S2
Molecular Weight525.52 g/mol
Exact Mass524.08
IUPAC NameN-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H26Cl2N2O3S2/c1-2-3-13-28(33(30,31)23-15-20(25)11-12-22(23)26)18-24(29)27(17-21-10-7-14-32-21)16-19-8-5-4-6-9-19/h4-12,14-15H,2-3,13,16-18H2,1H3
InChIKeyGBNGRQLWCNQENC-UHFFFAOYSA-N
XLogP6.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.52
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[butan-2-yl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3542326
N-benzyl-2-[butyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4562295
N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5140226
N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3913407
2-[(2,5-dichlorophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4641947
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-2-chloropropanamide
CID 4032692
N-benzyl-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 5018950
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-4-chloro-3-nitrobenzamide
CID 4689455
N-benzyl-2-[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4044775
N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3572091
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide
CID 5002484
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-2-phenylbutanamide
CID 3979409

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 3567239) is N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is CCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GBNGRQLWCNQENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2O3S2/c1-2-3-13-28(33(30,31)23-15-20(25)11-12-22(23)26)18-24(29)27(17-21-10-7-14-32-21)16-19-8-5-4-6-9-19/h4-12,14-15H,2-3,13,16-18H2,1H3.
What are the key properties of N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 525.52 g/mol, XLogP of 6.07, 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-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3567239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).