N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide

C19H22Cl2N2O3S — CID 46226990

IUPACN-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide
SMILESCS(=O)(=O)Nc1ccc(CCCC(=O)NCCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-27(25,26)23-16-8-5-14(6-9-16)3-2-4-19(24)22-12-11-15-7-10-17(20)18(21)13-15/h5-10,13,23H,2-4,11-12H2,1H3,(H,22,24)
InChIKeyLNVHCNNRGWYUPV-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.05
Rot. Bonds9

About N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide

N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide (PubChem CID 46226990) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide
PubChem CID46226990
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide
SMILESCS(=O)(=O)Nc1ccc(CCCC(=O)NCCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-27(25,26)23-16-8-5-14(6-9-16)3-2-4-19(24)22-12-11-15-7-10-17(20)18(21)13-15/h5-10,13,23H,2-4,11-12H2,1H3,(H,22,24)
InChIKeyLNVHCNNRGWYUPV-UHFFFAOYSA-N
XLogP4.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide (CID 46226990) is N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide is CS(=O)(=O)Nc1ccc(CCCC(=O)NCCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide?
The InChIKey is LNVHCNNRGWYUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-27(25,26)23-16-8-5-14(6-9-16)3-2-4-19(24)22-12-11-15-7-10-17(20)18(21)13-15/h5-10,13,23H,2-4,11-12H2,1H3,(H,22,24).
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide?
N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide has a molecular weight of 429.37 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide is sourced from PubChem (CID 46226990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).