N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide

C20H25N3O2S — CID 6002491

IUPACN-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide
SMILESCCC(CC)C(=O)Nc1cccc(/C(C)=N\NC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C20H25N3O2S/c1-5-15(6-2)19(24)21-17-9-7-8-16(12-17)14(4)22-23-20(25)18-11-10-13(3)26-18/h7-12,15H,5-6H2,1-4H3,(H,21,24)(H,23,25)/b22-14-
InChIKeyMTTSOESQIKQVMS-HMAPJEAMSA-N
MW371.51 g/mol
LogP4.59
Rot. Bonds7

About N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide

N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide (PubChem CID 6002491) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide
PubChem CID6002491
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide
SMILESCCC(CC)C(=O)Nc1cccc(/C(C)=N\NC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C20H25N3O2S/c1-5-15(6-2)19(24)21-17-9-7-8-16(12-17)14(4)22-23-20(25)18-11-10-13(3)26-18/h7-12,15H,5-6H2,1-4H3,(H,21,24)(H,23,25)/b22-14-
InChIKeyMTTSOESQIKQVMS-HMAPJEAMSA-N
XLogP4.59
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(Z)-N-[(3,5-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-5-methylthiophene-2-carboxamide
CID 5454915
N-[3-[N-[(3,5-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-5-methylthiophene-2-carboxamide
CID 1225544
N-[3-[N-[[2-(4-chlorophenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-ethylbutanamide
CID 1004969
5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3448356
5-methyl-N-[1-[4-(propanoylamino)phenyl]ethylideneamino]thiophene-2-carboxamide
CID 841194
5-bromo-N-[(E)-1-[3-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]thiophene-2-carboxamide
CID 17349564
N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891
methyl 3-(2-ethylbutanoylamino)benzoate
CID 43404089
3-[[3-(2-ethylbutanoylamino)benzoyl]amino]benzoate
CID 6978042
N-(3-acetylphenyl)-2-(aminomethyl)butanamide
CID 65229339
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide
CID 2218416
N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide
CID 1241654

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide (CID 6002491) is N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide is CCC(CC)C(=O)Nc1cccc(/C(C)=N\NC(=O)c2ccc(C)s2)c1.
What is the InChIKey of N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide?
The InChIKey is MTTSOESQIKQVMS-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-5-15(6-2)19(24)21-17-9-7-8-16(12-17)14(4)22-23-20(25)18-11-10-13(3)26-18/h7-12,15H,5-6H2,1-4H3,(H,21,24)(H,23,25)/b22-14-.
What are the key properties of N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide?
N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-(2-ethylbutanoylamino)phenyl]ethylideneamino]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 6002491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).