2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide

C24H26ClN3O5S — CID 133237542

IUPAC2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESCN(CC(=O)N(Cc1ccc(Cl)cc1)C(C(=O)NCc1ccco1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C24H26ClN3O5S/c1-27(34(2,31)32)17-22(29)28(16-18-10-12-20(25)13-11-18)23(19-7-4-3-5-8-19)24(30)26-15-21-9-6-14-33-21/h3-14,23H,15-17H2,1-2H3,(H,26,30)
InChIKeyDNCVEUIAEXXEDX-UHFFFAOYSA-N
MW504.01 g/mol
LogP3.21
Rot. Bonds10

About 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide

2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide (PubChem CID 133237542) has the molecular formula C24H26ClN3O5S and a molecular weight of 504.01 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
PubChem CID133237542
Molecular FormulaC24H26ClN3O5S
Molecular Weight504.01 g/mol
Exact Mass503.13
IUPAC Name2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
SMILESCN(CC(=O)N(Cc1ccc(Cl)cc1)C(C(=O)NCc1ccco1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C24H26ClN3O5S/c1-27(34(2,31)32)17-22(29)28(16-18-10-12-20(25)13-11-18)23(19-7-4-3-5-8-19)24(30)26-15-21-9-6-14-33-21/h3-14,23H,15-17H2,1-2H3,(H,26,30)
InChIKeyDNCVEUIAEXXEDX-UHFFFAOYSA-N
XLogP3.21
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.01
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133237535
N-butyl-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133237530
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133237544
(2S)-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 125046670
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(3-ethoxypropyl)-2-phenylacetamide
CID 133237548
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 133238309
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133237549
N-benzyl-2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133238630
2-[benzyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
CID 133236997
N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25316249
2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133237311
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 2222335

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide (CID 133237542) is 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide is CN(CC(=O)N(Cc1ccc(Cl)cc1)C(C(=O)NCc1ccco1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
The InChIKey is DNCVEUIAEXXEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O5S/c1-27(34(2,31)32)17-22(29)28(16-18-10-12-20(25)13-11-18)23(19-7-4-3-5-8-19)24(30)26-15-21-9-6-14-33-21/h3-14,23H,15-17H2,1-2H3,(H,26,30).
What are the key properties of 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide?
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide has a molecular weight of 504.01 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 133237542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).