N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide

C19H22ClFN2O3S — CID 2917597

IUPACN-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
SMILESCCC(C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClFN2O3S/c1-3-14(2)22-19(24)13-23(12-15-4-8-17(21)9-5-15)27(25,26)18-10-6-16(20)7-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyQXGYSMYXEACDCO-UHFFFAOYSA-N
MW412.91 g/mol
LogP3.58
Rot. Bonds8

About N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide

N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide (PubChem CID 2917597) has the molecular formula C19H22ClFN2O3S and a molecular weight of 412.91 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
PubChem CID2917597
Molecular FormulaC19H22ClFN2O3S
Molecular Weight412.91 g/mol
Exact Mass412.10
IUPAC NameN-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
SMILESCCC(C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClFN2O3S/c1-3-14(2)22-19(24)13-23(12-15-4-8-17(21)9-5-15)27(25,26)18-10-6-16(20)7-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyQXGYSMYXEACDCO-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide (CID 2917597) is N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide is CCC(C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide?
The InChIKey is QXGYSMYXEACDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3S/c1-3-14(2)22-19(24)13-23(12-15-4-8-17(21)9-5-15)27(25,26)18-10-6-16(20)7-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide?
N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide has a molecular weight of 412.91 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 2917597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).