N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C19H20Cl2N2O3S — CID 1331653

IUPACN-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-2-8-17(9-3-13)27(25,26)23(12-19(24)22-16-6-7-16)11-14-4-5-15(20)10-18(14)21/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,22,24)
InChIKeyHAJKBTDQVXHULN-UHFFFAOYSA-N
MW427.35 g/mol
LogP3.77
Rot. Bonds7

About N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 1331653) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID1331653
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC NameN-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-2-8-17(9-3-13)27(25,26)23(12-19(24)22-16-6-7-16)11-14-4-5-15(20)10-18(14)21/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,22,24)
InChIKeyHAJKBTDQVXHULN-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide
CID 126371963
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 1072746
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2301025
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 1315881
2-[4-[[2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793363
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126078310
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 94864272
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 126069306
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401241
N-[(Z)-benzylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126067440
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(3-methylphenyl)acetamide
CID 126059067
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide
CID 2192147

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 1331653) is N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is HAJKBTDQVXHULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-13-2-8-17(9-3-13)27(25,26)23(12-19(24)22-16-6-7-16)11-14-4-5-15(20)10-18(14)21/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,22,24).
What are the key properties of N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 427.35 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 1331653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).