N-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide

C15H15F2N3O2S2 — CID 133387815

IUPACN-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCNc2c(F)cc(C#N)cc2F)c(C)s1
InChIInChI=1S/C15H15F2N3O2S2/c1-9-5-14(10(2)23-9)24(21,22)20-4-3-19-15-12(16)6-11(8-18)7-13(15)17/h5-7,19-20H,3-4H2,1-2H3
InChIKeySOCYSRNEZMUADG-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.91
Rot. Bonds6

About N-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide

N-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 133387815) has the molecular formula C15H15F2N3O2S2 and a molecular weight of 371.43 g/mol. Its IUPAC name is N-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide
PubChem CID133387815
Molecular FormulaC15H15F2N3O2S2
Molecular Weight371.43 g/mol
Exact Mass371.06
IUPAC NameN-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCNc2c(F)cc(C#N)cc2F)c(C)s1
InChIInChI=1S/C15H15F2N3O2S2/c1-9-5-14(10(2)23-9)24(21,22)20-4-3-19-15-12(16)6-11(8-18)7-13(15)17/h5-7,19-20H,3-4H2,1-2H3
InChIKeySOCYSRNEZMUADG-UHFFFAOYSA-N
XLogP2.91
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide
CID 62658925
4-(2-aminoethylamino)-3,5-difluorobenzonitrile
CID 81294761
4-(3,3-dimethylbutylamino)-3,5-difluorobenzonitrile
CID 115599015
2,5-dimethyl-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]thiophene-3-sulfonamide
CID 133421554
4-[2-[di(propan-2-yl)amino]ethylamino]-3,5-difluorobenzonitrile
CID 52820169
2,5-dimethyl-N-[2-[[(1R)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]amino]ethyl]thiophene-3-sulfonamide
CID 99852270
4-[(4-cyano-2,6-difluoroanilino)methyl]-N-methylbenzenesulfonamide
CID 51101942
2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride
CID 53314568
tert-butyl N-[2-(4-cyano-2,6-difluoroanilino)ethyl]carbamate
CID 115599033
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 78878041
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 104682966
3,5-difluoro-4-(4,4,4-trifluorobutylamino)benzonitrile
CID 79040621

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide (CID 133387815) is N-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCCNc2c(F)cc(C#N)cc2F)c(C)s1.
What is the InChIKey of N-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is SOCYSRNEZMUADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2S2/c1-9-5-14(10(2)23-9)24(21,22)20-4-3-19-15-12(16)6-11(8-18)7-13(15)17/h5-7,19-20H,3-4H2,1-2H3.
What are the key properties of N-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide?
N-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 371.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyano-2,6-difluoroanilino)ethyl]-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 133387815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).