N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide

C13H18F2N2O3S — CID 62837560

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C13H18F2N2O3S/c1-3-16-9(2)8-12(18)17-10-4-6-11(7-5-10)21(19,20)13(14)15/h4-7,9,13,16H,3,8H2,1-2H3,(H,17,18)
InChIKeyRROCBSLOAMOBPA-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.01
Rot. Bonds7

About N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide

N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide (PubChem CID 62837560) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide
PubChem CID62837560
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C13H18F2N2O3S/c1-3-16-9(2)8-12(18)17-10-4-6-11(7-5-10)21(19,20)13(14)15/h4-7,9,13,16H,3,8H2,1-2H3,(H,17,18)
InChIKeyRROCBSLOAMOBPA-UHFFFAOYSA-N
XLogP2.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 62230790
4-[3-(ethylamino)butanoylamino]-N-methylbenzamide
CID 62837204
3-(ethylamino)-N-(4-propan-2-yloxyphenyl)butanamide
CID 62838247
3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid
CID 104503048
N-[4-[3-(ethylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 62839619
4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide
CID 62838667
(E)-3-[4-[3-(ethylamino)butanoylamino]phenyl]prop-2-enoic acid
CID 115342286
N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide
CID 47301190
2-[2-[4-(difluoromethylsulfonyl)anilino]-2-oxoethoxy]acetic acid
CID 60708142
N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
CID 62838768
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide
CID 62837414
N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide (CID 62837560) is N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide?
The InChIKey is RROCBSLOAMOBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-3-16-9(2)8-12(18)17-10-4-6-11(7-5-10)21(19,20)13(14)15/h4-7,9,13,16H,3,8H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide?
N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide has a molecular weight of 320.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-3-(ethylamino)butanamide is sourced from PubChem (CID 62837560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).