N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide

C25H24F2N4O2S2 — CID 17310942

IUPACN-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)N/N=C/c2ccc(OC)c(CSc3nc(C(F)F)cc(C)c3C#N)c2)cs1
InChIInChI=1S/C25H24F2N4O2S2/c1-4-5-19-10-18(14-34-19)24(32)31-29-12-16-6-7-22(33-3)17(9-16)13-35-25-20(11-28)15(2)8-21(30-25)23(26)27/h6-10,12,14,23H,4-5,13H2,1-3H3,(H,31,32)/b29-12+
InChIKeyMNAAQIAKGRXEIN-XKJRVUDJSA-N
MW514.62 g/mol
LogP6.28
Rot. Bonds10

About N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide

N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide (PubChem CID 17310942) has the molecular formula C25H24F2N4O2S2 and a molecular weight of 514.62 g/mol. Its IUPAC name is N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide
PubChem CID17310942
Molecular FormulaC25H24F2N4O2S2
Molecular Weight514.62 g/mol
Exact Mass514.13
IUPAC NameN-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)N/N=C/c2ccc(OC)c(CSc3nc(C(F)F)cc(C)c3C#N)c2)cs1
InChIInChI=1S/C25H24F2N4O2S2/c1-4-5-19-10-18(14-34-19)24(32)31-29-12-16-6-7-22(33-3)17(9-16)13-35-25-20(11-28)15(2)8-21(30-25)23(26)27/h6-10,12,14,23H,4-5,13H2,1-3H3,(H,31,32)/b29-12+
InChIKeyMNAAQIAKGRXEIN-XKJRVUDJSA-N
XLogP6.28
TPSA87.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-4-nitrobenzamide
CID 100899423
N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-2-[(3-fluorophenyl)methylsulfanyl]acetamide
CID 17285213
2-[2-[[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620713
N-[[3-[[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 71944825
2-[[5-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]methylsulfanyl]-6-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 19562989
6-(difluoromethyl)-2-[[2-methoxy-5-[(Z)-[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]methylsulfanyl]-4-methylpyridine-3-carbonitrile
CID 6210583
N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-fluorobenzamide
CID 6873026
trans-(1S,2S)-N-[[3-[[3-cyano-4-phenyl-6-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 129439495
2-[[2-methoxy-5-[(E)-3-(3-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 19570968
2-[[5-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]methylsulfanyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 19550971
(E)-2-cyano-3-[3-[[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]prop-2-enamide
CID 51138287
N-[(Z)-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propylthiophene-3-carboxamide
CID 27526851

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide?
The IUPAC name of N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide (CID 17310942) is N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide.
What is the SMILES notation for N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide?
The canonical SMILES for N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide is CCCc1cc(C(=O)N/N=C/c2ccc(OC)c(CSc3nc(C(F)F)cc(C)c3C#N)c2)cs1.
What is the InChIKey of N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide?
The InChIKey is MNAAQIAKGRXEIN-XKJRVUDJSA-N. The full InChI is InChI=1S/C25H24F2N4O2S2/c1-4-5-19-10-18(14-34-19)24(32)31-29-12-16-6-7-22(33-3)17(9-16)13-35-25-20(11-28)15(2)8-21(30-25)23(26)27/h6-10,12,14,23H,4-5,13H2,1-3H3,(H,31,32)/b29-12+.
What are the key properties of N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide?
N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide has a molecular weight of 514.62 g/mol, XLogP of 6.28, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]-4-methoxyphenyl]methylideneamino]-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 17310942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).