N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide

C14H20F2N2O3S — CID 113065382

IUPACN-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
SMILESCCCCN(CCNC(=O)c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C14H20F2N2O3S/c1-3-4-8-18(22(2,20)21)9-7-17-14(19)11-5-6-12(15)13(16)10-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyPUPKQYZPZSWPPK-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.76
Rot. Bonds8

About N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide

N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide (PubChem CID 113065382) has the molecular formula C14H20F2N2O3S and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
PubChem CID113065382
Molecular FormulaC14H20F2N2O3S
Molecular Weight334.39 g/mol
Exact Mass334.12
IUPAC NameN-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
SMILESCCCCN(CCNC(=O)c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C14H20F2N2O3S/c1-3-4-8-18(22(2,20)21)9-7-17-14(19)11-5-6-12(15)13(16)10-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyPUPKQYZPZSWPPK-UHFFFAOYSA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068306
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313
3,4-difluoro-N-heptylbenzamide
CID 91717416
N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113068329
N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide
CID 113056981
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide
CID 61139821
N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
CID 113051885
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3,4-difluorobenzamide
CID 113069894
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065838
4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
CID 113064845

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide (CID 113065382) is N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide is CCCCN(CCNC(=O)c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide?
The InChIKey is PUPKQYZPZSWPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3S/c1-3-4-8-18(22(2,20)21)9-7-17-14(19)11-5-6-12(15)13(16)10-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide?
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide has a molecular weight of 334.39 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113065382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).