N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide

C24H27ClN2O4S — CID 3298683

IUPACN-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN2O4S/c1-3-15-27(32(29,30)23-13-10-21(25)11-14-23)18-24(28)26(16-20-7-5-4-6-8-20)17-22-12-9-19(2)31-22/h4-14H,3,15-18H2,1-2H3
InChIKeyVLKXPVYPYYVCMV-UHFFFAOYSA-N
MW475.01 g/mol
LogP4.87
Rot. Bonds10

About N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide

N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 3298683) has the molecular formula C24H27ClN2O4S and a molecular weight of 475.01 g/mol. Its IUPAC name is N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID3298683
Molecular FormulaC24H27ClN2O4S
Molecular Weight475.01 g/mol
Exact Mass474.14
IUPAC NameN-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN2O4S/c1-3-15-27(32(29,30)23-13-10-21(25)11-14-23)18-24(28)26(16-20-7-5-4-6-8-20)17-22-12-9-19(2)31-22/h4-14H,3,15-18H2,1-2H3
InChIKeyVLKXPVYPYYVCMV-UHFFFAOYSA-N
XLogP4.87
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(3-methylbutyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3961353
2-[benzenesulfonyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42773228
N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42773248
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 4252253
2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 92915087
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]acetamide
CID 4006078
2-[(4-acetamidophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3634835
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 4030296
N-benzyl-2-[(4-chloro-3-nitrophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3634841
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 42773075
N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenylethyl)acetamide
CID 4675633

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 3298683) is N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide is CCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is VLKXPVYPYYVCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4S/c1-3-15-27(32(29,30)23-13-10-21(25)11-14-23)18-24(28)26(16-20-7-5-4-6-8-20)17-22-12-9-19(2)31-22/h4-14H,3,15-18H2,1-2H3.
What are the key properties of N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 475.01 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 3298683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).